 Entering Gaussian System, Link 0=g16
 Input=12_L-valine_conformer17_STD_wB97XD_augccpVDZ.in
 Output=12_L-valine_conformer17_STD_wB97XD_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_augccpVDZ/Gau-40371.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     40381.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                13-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=12_L-valine_conformer17_STD_wB97XD_augccpVDZ
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Aug 13 10:47:05 2021, MaxMem=  5368709120 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "12_L-valine_conformer17_STD_wB97XD_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.242060000000     -0.691046000000      1.347213000000
  C                                                -1.257801000000     -0.369797000000     -0.148854000000
  C                                                 0.160880000000     -0.338750000000     -0.765763000000
  C                                                 1.057636000000      0.659612000000     -0.017001000000
  O                                                 1.945020000000      0.084751000000      0.805432000000
  C                                                -2.029648000000      0.917604000000     -0.430520000000
  N                                                 0.777212000000     -1.672850000000     -0.709690000000
  O                                                 0.958586000000      1.851003000000     -0.134549000000
  H                                                 0.071726000000      0.035438000000     -1.788895000000
  H                                                -1.773582000000     -1.187043000000     -0.668620000000
  H                                                 1.831378000000     -0.883345000000      0.671434000000
  H                                                 0.080206000000     -2.406377000000     -0.729845000000
  H                                                 1.409658000000     -1.824289000000     -1.485630000000
  H                                                -3.047160000000      0.833387000000     -0.044887000000
  H                                                -1.550296000000      1.774112000000      0.042015000000
  H                                                -2.088446000000      1.119506000000     -1.501518000000
  H                                                -2.261952000000     -0.810611000000      1.715282000000
  H                                                -0.697350000000     -1.610398000000      1.566250000000
  H                                                -0.777550000000      0.117788000000      1.914721000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          12          14          16           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  14.0030740  15.9949146   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           2           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   4.5500000   5.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   7.0000000   8.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Fri Aug 13 10:47:06 2021, MaxMem=  5368709120 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.242060   -0.691046    1.347213
      2          6           0       -1.257801   -0.369797   -0.148854
      3          6           0        0.160880   -0.338750   -0.765763
      4          6           0        1.057636    0.659612   -0.017001
      5          8           0        1.945020    0.084751    0.805432
      6          6           0       -2.029648    0.917604   -0.430520
      7          7           0        0.777212   -1.672850   -0.709690
      8          8           0        0.958586    1.851003   -0.134549
      9          1           0        0.071726    0.035438   -1.788895
     10          1           0       -1.773582   -1.187043   -0.668620
     11          1           0        1.831378   -0.883345    0.671434
     12          1           0        0.080206   -2.406377   -0.729845
     13          1           0        1.409658   -1.824289   -1.485630
     14          1           0       -3.047160    0.833387   -0.044887
     15          1           0       -1.550296    1.774112    0.042015
     16          1           0       -2.088446    1.119506   -1.501518
     17          1           0       -2.261952   -0.810611    1.715282
     18          1           0       -0.697350   -1.610398    1.566250
     19          1           0       -0.777550    0.117788    1.914721
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.530250   0.000000
     3  C    2.560668   1.547319   0.000000
     4  C    2.995657   2.537384   1.536731   0.000000
     5  O    3.324585   3.372735   2.414780   1.339519   0.000000
     6  C    2.523566   1.527247   2.547396   3.125521   4.244904
     7  N    3.045037   2.480678   1.470657   2.449252   2.597794
     8  O    3.674299   3.137599   2.414495   1.201266   2.230754
     9  H    3.476922   2.149789   1.093053   2.121608   3.200343
    10  H    2.142921   1.097305   2.114517   3.442461   4.197415
    11  H    3.152725   3.237226   2.269952   1.858315   0.983910
    12  H    3.000820   2.505089   2.069512   3.296029   3.469917
    13  H    4.042381   3.319315   2.069899   2.906984   3.029853
    14  H    2.742303   2.158765   3.490715   4.108567   5.119117
    15  H    2.806342   2.172172   2.836338   2.836706   3.956511
    16  H    3.479905   2.176625   2.779805   3.509006   4.760418
    17  H    1.090848   2.162785   3.499765   4.022689   4.396375
    18  H    1.090823   2.189698   2.791403   3.277134   3.230247
    19  H    1.091809   2.174103   2.876469   2.719013   2.940068
                    6          7          8          9         10
     6  C    0.000000
     7  N    3.829732   0.000000
     8  O    3.144579   3.575084   0.000000
     9  H    2.653144   2.140243   2.611447   0.000000
    10  H    2.133495   2.596968   4.120643   2.480854   0.000000
    11  H    4.400596   1.908425   2.981281   3.161290   3.857942
    12  H    3.948408   1.012070   4.387620   2.661601   2.219697
    13  H    4.523280   1.012425   3.941657   2.310977   3.347627
    14  H    1.091392   4.620499   4.133955   3.661384   2.468437
    15  H    1.089346   4.226571   2.516262   3.001029   3.053408
    16  H    1.091448   4.078755   3.418786   2.433954   2.472454
    17  H    2.764988   3.982520   4.569237   4.294311   2.462356
    18  H    3.486101   2.712588   4.197158   3.815397   2.516376
    19  H    2.776258   3.537118   3.196515   3.800635   3.060770
                   11         12         13         14         15
    11  H    0.000000
    12  H    2.711054   0.000000
    13  H    2.390847   1.636301   0.000000
    14  H    5.221151   4.554740   5.385370   0.000000
    15  H    4.346719   4.553108   4.903419   1.770061   0.000000
    16  H    4.908987   4.210746   4.571970   1.767136   1.760854
    17  H    4.224957   3.743103   4.975349   2.533274   3.160233
    18  H    2.779167   2.551515   3.714728   3.753592   3.808637
    19  H    3.058518   3.755114   4.485301   3.082738   2.616787
                   16         17         18         19
    16  H    0.000000
    17  H    3.755430   0.000000
    18  H    4.335750   1.763476   0.000000
    19  H    3.793755   1.762144   1.764792   0.000000
 Stoichiometry    C5H11NO2
 Framework group  C1[X(C5H11NO2)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.84D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.242060   -0.691046    1.347213
      2          6           0       -1.257801   -0.369797   -0.148854
      3          6           0        0.160880   -0.338750   -0.765763
      4          6           0        1.057636    0.659612   -0.017001
      5          8           0        1.945020    0.084751    0.805432
      6          6           0       -2.029648    0.917604   -0.430520
      7          7           0        0.777212   -1.672850   -0.709690
      8          8           0        0.958586    1.851003   -0.134549
      9          1           0        0.071726    0.035438   -1.788895
     10          1           0       -1.773582   -1.187043   -0.668620
     11          1           0        1.831378   -0.883345    0.671434
     12          1           0        0.080206   -2.406377   -0.729845
     13          1           0        1.409658   -1.824289   -1.485630
     14          1           0       -3.047160    0.833387   -0.044887
     15          1           0       -1.550296    1.774112    0.042015
     16          1           0       -2.088446    1.119506   -1.501518
     17          1           0       -2.261952   -0.810611    1.715282
     18          1           0       -0.697350   -1.610398    1.566250
     19          1           0       -0.777550    0.117788    1.914721
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.4712723           1.7885275           1.4334947
 Leave Link  202 at Fri Aug 13 10:47:06 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     11     12     13     14     15     16     17     18
 Centers:      19
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      6
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      8
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  24 primitive shells out of 312 were deleted.
 There are   299 symmetry adapted cartesian basis functions of A   symmetry.
 There are   283 symmetry adapted basis functions of A   symmetry.
   283 basis functions,   508 primitive gaussians,   299 cartesian basis functions
    32 alpha electrons       32 beta electrons
       nuclear repulsion energy       413.2608280726 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0126898119 Hartrees.
 Nuclear repulsion after empirical dispersion term =      413.2481382607 Hartrees.
 Leave Link  301 at Fri Aug 13 10:47:08 2021, MaxMem=  5368709120 cpu:              17.2 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   283 RedAO= T EigKep=  9.80D-06  NBF=   283
 NBsUse=   283 1.00D-06 EigRej= -1.00D+00 NBFU=   283
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   299   299   299   299   299 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Fri Aug 13 10:47:09 2021, MaxMem=  5368709120 cpu:               3.8 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Aug 13 10:47:10 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "12_L-valine_conformer17_STD_wB97XD_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Aug 13 10:47:11 2021, MaxMem=  5368709120 cpu:               3.8 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368524961 LenY=  5368435119
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -402.309882989013    
 DIIS: error= 1.72D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -402.309882989013     IErMin= 1 ErrMin= 1.72D-03
 ErrMax= 1.72D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.61D-03 BMatP= 5.61D-03
 IDIUse=3 WtCom= 9.83D-01 WtEn= 1.72D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.422 Goal=   None    Shift=    0.000
 GapD=    0.422 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=9.23D-03 MaxDP=6.16D-01              OVMax= 1.32D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  9.07D-03    CP:  1.07D+00
 E= -402.314532728654     Delta-E=       -0.004649739641 Rises=F Damp=F
 DIIS: error= 2.69D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -402.314532728654     IErMin= 2 ErrMin= 2.69D-04
 ErrMax= 2.69D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.23D-04 BMatP= 5.61D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.69D-03
 Coeff-Com: -0.418D-01 0.104D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.417D-01 0.104D+01
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=1.18D-03 MaxDP=7.74D-02 DE=-4.65D-03 OVMax= 4.74D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  4.71D-04    CP:  1.07D+00  1.12D+00
 E= -402.314637602259     Delta-E=       -0.000104873606 Rises=F Damp=F
 DIIS: error= 3.24D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -402.314637602259     IErMin= 2 ErrMin= 2.69D-04
 ErrMax= 3.24D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.16D-04 BMatP= 1.23D-04
 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.24D-03
 EnCoef did     1 forward-backward iterations
 Coeff-Com: -0.433D-01 0.532D+00 0.511D+00
 Coeff-En:   0.000D+00 0.101D-02 0.999D+00
 Coeff:     -0.432D-01 0.531D+00 0.513D+00
 Gap=     0.369 Goal=   None    Shift=    0.000
 RMSDP=1.03D-04 MaxDP=4.32D-03 DE=-1.05D-04 OVMax= 1.79D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  6.99D-05    CP:  1.07D+00  1.13D+00  1.07D+00
 E= -402.314717207241     Delta-E=       -0.000079604982 Rises=F Damp=F
 DIIS: error= 4.56D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -402.314717207241     IErMin= 4 ErrMin= 4.56D-05
 ErrMax= 4.56D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.51D-06 BMatP= 1.16D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.337D-02-0.147D-01 0.887D-01 0.929D+00
 Coeff:     -0.337D-02-0.147D-01 0.887D-01 0.929D+00
 Gap=     0.369 Goal=   None    Shift=    0.000
 RMSDP=7.56D-05 MaxDP=6.45D-03 DE=-7.96D-05 OVMax= 7.23D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.49D-05    CP:  1.07D+00  1.13D+00  1.17D+00  1.39D+00
 E= -402.314720220910     Delta-E=       -0.000003013669 Rises=F Damp=F
 DIIS: error= 2.74D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -402.314720220910     IErMin= 5 ErrMin= 2.74D-05
 ErrMax= 2.74D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.24D-07 BMatP= 2.51D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.235D-02-0.548D-01-0.775D-02 0.442D+00 0.618D+00
 Coeff:      0.235D-02-0.548D-01-0.775D-02 0.442D+00 0.618D+00
 Gap=     0.369 Goal=   None    Shift=    0.000
 RMSDP=1.76D-05 MaxDP=1.80D-03 DE=-3.01D-06 OVMax= 3.32D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  8.75D-06    CP:  1.07D+00  1.13D+00  1.18D+00  1.52D+00  1.18D+00
 E= -402.314720938561     Delta-E=       -0.000000717650 Rises=F Damp=F
 DIIS: error= 9.44D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -402.314720938561     IErMin= 6 ErrMin= 9.44D-06
 ErrMax= 9.44D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.04D-08 BMatP= 8.24D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.150D-02-0.241D-01-0.136D-01 0.105D+00 0.289D+00 0.643D+00
 Coeff:      0.150D-02-0.241D-01-0.136D-01 0.105D+00 0.289D+00 0.643D+00
 Gap=     0.369 Goal=   None    Shift=    0.000
 RMSDP=5.63D-06 MaxDP=6.36D-04 DE=-7.18D-07 OVMax= 9.24D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.49D-06    CP:  1.07D+00  1.13D+00  1.19D+00  1.56D+00  1.25D+00
                    CP:  1.14D+00
 E= -402.314721016898     Delta-E=       -0.000000078338 Rises=F Damp=F
 DIIS: error= 2.32D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -402.314721016898     IErMin= 7 ErrMin= 2.32D-06
 ErrMax= 2.32D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.92D-09 BMatP= 9.04D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.124D-03 0.415D-03-0.259D-02-0.319D-01 0.309D-02 0.213D+00
 Coeff-Com:  0.818D+00
 Coeff:      0.124D-03 0.415D-03-0.259D-02-0.319D-01 0.309D-02 0.213D+00
 Coeff:      0.818D+00
 Gap=     0.369 Goal=   None    Shift=    0.000
 RMSDP=2.61D-06 MaxDP=2.47D-04 DE=-7.83D-08 OVMax= 4.04D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.16D-06    CP:  1.07D+00  1.13D+00  1.19D+00  1.57D+00  1.27D+00
                    CP:  1.20D+00  1.26D+00
 E= -402.314721026499     Delta-E=       -0.000000009601 Rises=F Damp=F
 DIIS: error= 6.71D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -402.314721026499     IErMin= 8 ErrMin= 6.71D-07
 ErrMax= 6.71D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.10D-10 BMatP= 6.92D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.920D-04 0.216D-02 0.573D-03-0.178D-01-0.246D-01-0.116D-01
 Coeff-Com:  0.208D+00 0.843D+00
 Coeff:     -0.920D-04 0.216D-02 0.573D-03-0.178D-01-0.246D-01-0.116D-01
 Coeff:      0.208D+00 0.843D+00
 Gap=     0.369 Goal=   None    Shift=    0.000
 RMSDP=6.48D-07 MaxDP=2.94D-05 DE=-9.60D-09 OVMax= 1.16D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  3.37D-07    CP:  1.07D+00  1.13D+00  1.19D+00  1.57D+00  1.28D+00
                    CP:  1.21D+00  1.36D+00  1.18D+00
 E= -402.314721027263     Delta-E=       -0.000000000764 Rises=F Damp=F
 DIIS: error= 2.52D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -402.314721027263     IErMin= 9 ErrMin= 2.52D-07
 ErrMax= 2.52D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.63D-11 BMatP= 5.10D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.362D-04 0.628D-03 0.358D-03-0.328D-02-0.733D-02-0.212D-01
 Coeff-Com:  0.783D-02 0.258D+00 0.765D+00
 Coeff:     -0.362D-04 0.628D-03 0.358D-03-0.328D-02-0.733D-02-0.212D-01
 Coeff:      0.783D-02 0.258D+00 0.765D+00
 Gap=     0.369 Goal=   None    Shift=    0.000
 RMSDP=1.51D-07 MaxDP=9.38D-06 DE=-7.64D-10 OVMax= 3.45D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  7.45D-08    CP:  1.07D+00  1.13D+00  1.19D+00  1.57D+00  1.28D+00
                    CP:  1.21D+00  1.39D+00  1.25D+00  1.03D+00
 E= -402.314721027335     Delta-E=       -0.000000000073 Rises=F Damp=F
 DIIS: error= 6.38D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -402.314721027335     IErMin=10 ErrMin= 6.38D-08
 ErrMax= 6.38D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.46D-12 BMatP= 4.63D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.231D-05-0.294D-04 0.537D-04 0.978D-03 0.712D-03-0.579D-02
 Coeff-Com: -0.193D-01-0.205D-01 0.224D+00 0.820D+00
 Coeff:     -0.231D-05-0.294D-04 0.537D-04 0.978D-03 0.712D-03-0.579D-02
 Coeff:     -0.193D-01-0.205D-01 0.224D+00 0.820D+00
 Gap=     0.369 Goal=   None    Shift=    0.000
 RMSDP=6.88D-08 MaxDP=7.90D-06 DE=-7.25D-11 OVMax= 1.06D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  3.04D-08    CP:  1.07D+00  1.13D+00  1.19D+00  1.57D+00  1.27D+00
                    CP:  1.21D+00  1.39D+00  1.26D+00  1.08D+00  1.18D+00
 E= -402.314721027323     Delta-E=        0.000000000012 Rises=F Damp=F
 DIIS: error= 2.10D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -402.314721027335     IErMin=11 ErrMin= 2.10D-08
 ErrMax= 2.10D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.65D-13 BMatP= 5.46D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.347D-05-0.809D-04-0.285D-04 0.660D-03 0.112D-02 0.282D-03
 Coeff-Com: -0.644D-02-0.346D-01-0.686D-02 0.265D+00 0.781D+00
 Coeff:      0.347D-05-0.809D-04-0.285D-04 0.660D-03 0.112D-02 0.282D-03
 Coeff:     -0.644D-02-0.346D-01-0.686D-02 0.265D+00 0.781D+00
 Gap=     0.369 Goal=   None    Shift=    0.000
 RMSDP=2.15D-08 MaxDP=2.22D-06 DE= 1.22D-11 OVMax= 3.42D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  9.48D-09    CP:  1.07D+00  1.13D+00  1.19D+00  1.57D+00  1.27D+00
                    CP:  1.21D+00  1.39D+00  1.26D+00  1.09D+00  1.26D+00
                    CP:  1.10D+00
 E= -402.314721027323     Delta-E=       -0.000000000000 Rises=F Damp=F
 DIIS: error= 5.97D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=10 EnMin= -402.314721027335     IErMin=12 ErrMin= 5.97D-09
 ErrMax= 5.97D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.90D-14 BMatP= 5.65D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.907D-06-0.154D-04-0.109D-04 0.719D-04 0.230D-03 0.398D-03
 Coeff-Com: -0.665D-04-0.661D-02-0.181D-01-0.376D-02 0.173D+00 0.855D+00
 Coeff:      0.907D-06-0.154D-04-0.109D-04 0.719D-04 0.230D-03 0.398D-03
 Coeff:     -0.665D-04-0.661D-02-0.181D-01-0.376D-02 0.173D+00 0.855D+00
 Gap=     0.369 Goal=   None    Shift=    0.000
 RMSDP=6.12D-09 MaxDP=6.48D-07 DE=-1.14D-13 OVMax= 1.16D-07

 SCF Done:  E(RwB97XD) =  -402.314721027     A.U. after   12 cycles
            NFock= 12  Conv=0.61D-08     -V/T= 2.0063
 KE= 3.998104156954D+02 PE=-1.765631907950D+03 EE= 5.502586329670D+02
 Leave Link  502 at Fri Aug 13 10:50:33 2021, MaxMem=  5368709120 cpu:            1610.3 elap:             201.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   283
 NBasis=   283 NAE=    32 NBE=    32 NFC=     0 NFV=     0
 NROrb=    283 NOA=    32 NOB=    32 NVA=   251 NVB=   251

 **** Warning!!: The largest alpha MO coefficient is  0.62534961D+02

 Leave Link  801 at Fri Aug 13 10:50:33 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5894 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.34D-13 8.33D-09 XBig12= 1.00D+00 2.53D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.34D-13 8.33D-09 XBig12= 1.71D-01 5.10D-02.
     11 vectors produced by pass  2 Test12= 1.34D-13 8.33D-09 XBig12= 2.61D-02 3.94D-02.
     11 vectors produced by pass  3 Test12= 1.34D-13 8.33D-09 XBig12= 2.08D-03 9.72D-03.
     11 vectors produced by pass  4 Test12= 1.34D-13 8.33D-09 XBig12= 8.21D-05 1.81D-03.
     11 vectors produced by pass  5 Test12= 1.34D-13 8.33D-09 XBig12= 2.54D-06 2.39D-04.
     11 vectors produced by pass  6 Test12= 1.34D-13 8.33D-09 XBig12= 8.15D-08 5.22D-05.
     11 vectors produced by pass  7 Test12= 1.34D-13 8.33D-09 XBig12= 1.89D-09 1.12D-05.
     11 vectors produced by pass  8 Test12= 1.34D-13 8.33D-09 XBig12= 3.66D-11 1.47D-06.
      9 vectors produced by pass  9 Test12= 1.34D-13 8.33D-09 XBig12= 5.02D-13 1.55D-07.
      4 vectors produced by pass 10 Test12= 1.34D-13 8.33D-09 XBig12= 7.45D-15 1.58D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.84D-14
 Solved reduced A of dimension   112 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.806679D+02
      2 -0.272469D+01  0.829909D+02
      3  0.194742D+01 -0.130585D+01  0.731688D+02
 Isotropic polarizability for W=    0.088559       78.94 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.770737D+02  0.124974D+02  0.215096D+02
      2   0.428725D+02 -0.952748D+01 -0.153839D+02
      3   0.342012D+02 -0.296995D+01 -0.612564D+01
      4  -0.122458D+02 -0.261754D+02  0.123141D+02
      5   0.153481D+02  0.965894D+01 -0.534317D+02
      6   0.114680D+02 -0.124391D+02 -0.220872D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.174827D+01  0.159309D+01  0.825811D+01
      2   0.111110D+02  0.227291D+01 -0.277310D+02
      3  -0.109085D+02  0.133677D+02 -0.347983D+00
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.265512D+01  0.294481D+01  0.191173D+02
      2   0.616144D+01  0.846010D+00 -0.876328D+02
      3  -0.247433D+02  0.690479D+02  0.180911D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.298685D+00 -0.203774D+01 -0.406538D-01
      2  -0.203774D+01 -0.836624D+00  0.126771D+01
      3  -0.406538D-01  0.126771D+01  0.714597D+00
 OR G Eigenvalues:    -2.6823     0.5517     2.3072  Iso=    -0.0589
 Eigenvectors:
   (1)   0.537531   0.792108  -0.289182
   (2)   0.568251  -0.086893   0.818254
   (3)   0.623018  -0.604165  -0.496824
 w=    0.088559 a.u., Optical Rotation Beta=     -0.0589 au.
 Molar Mass =    117.1474 grams/mole, [Alpha] ( 5145.0 A) =      -25.49 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   40186 ScalPx= 6.86D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   40186 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.91D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.23D-14 2.78D-09 XBig12= 1.00D+00 3.77D-01.
     30 vectors produced by pass  1 Test12= 2.23D-14 2.78D-09 XBig12= 2.19D-02 3.25D-02.
     30 vectors produced by pass  2 Test12= 2.23D-14 2.78D-09 XBig12= 1.11D-03 4.80D-03.
     30 vectors produced by pass  3 Test12= 2.23D-14 2.78D-09 XBig12= 1.21D-05 6.21D-04.
     30 vectors produced by pass  4 Test12= 2.23D-14 2.78D-09 XBig12= 1.67D-07 6.35D-05.
     30 vectors produced by pass  5 Test12= 2.23D-14 2.78D-09 XBig12= 2.87D-09 7.23D-06.
     30 vectors produced by pass  6 Test12= 2.23D-14 2.78D-09 XBig12= 2.16D-11 4.14D-07.
     30 vectors produced by pass  7 Test12= 2.23D-14 2.78D-09 XBig12= 1.33D-13 3.94D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.55D-15
 Solved reduced A of dimension   240 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   40186 ScalPx= 2.80D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   40186 ScalPx= 2.80D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   40186 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.71D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.806679D+02 -0.272469D+01  0.194742D+01
      2  -0.272469D+01  0.829909D+02 -0.130585D+01
      3   0.194742D+01 -0.130585D+01  0.731688D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.174827D+01  0.159309D+01  0.825811D+01
      2   0.111110D+02  0.227291D+01 -0.277310D+02
      3  -0.109085D+02  0.133677D+02 -0.347983D+00
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.770737D+02  0.124974D+02  0.215096D+02
      2   0.428725D+02 -0.952748D+01 -0.153839D+02
      3   0.342012D+02 -0.296995D+01 -0.612564D+01
      4  -0.122458D+02 -0.261754D+02  0.123141D+02
      5   0.153481D+02  0.965894D+01 -0.534317D+02
      6   0.114680D+02 -0.124391D+02 -0.220872D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.520536D+01  0.153843D+01 -0.414852D+01  0.122297D+01 -0.358578D+01
      2   0.153843D+01 -0.362127D+01 -0.703260D+00 -0.358578D+01  0.162500D+01
      3  -0.414852D+01 -0.703260D+00  0.195390D+00 -0.465283D+00 -0.289043D+01
                 6             7             8             9            10 
      1  -0.465283D+00 -0.306410D+01 -0.539933D+00 -0.213279D+00 -0.478130D+01
      2  -0.289043D+01 -0.539933D+00 -0.202730D+01 -0.244544D+01 -0.276358D+00
      3  -0.191021D+01 -0.213279D+00 -0.244544D+01  0.303400D+01  0.326730D+01
                11            12            13            14            15 
      1  -0.276358D+00  0.326730D+01  0.621592D+00  0.457218D+01  0.741371D+00
      2   0.388464D+01  0.850107D+00  0.457218D+01  0.115630D+01  0.314346D+01
      3   0.850107D+00  0.290996D+00  0.741371D+00  0.314346D+01  0.285347D+01
                16            17            18            19            20 
      1   0.460361D+01  0.922660D+00  0.321380D+00  0.435591D+01  0.258380D-03
      2   0.922660D+00  0.298842D+01  0.368569D+01  0.258380D-03 -0.214655D+01
      3   0.321380D+00  0.368569D+01 -0.400601D+01 -0.204248D+01 -0.136014D+01
                21            22            23            24            25 
      1  -0.204248D+01  0.313866D+00 -0.294411D+01 -0.104842D+01 -0.246592D+01
      2  -0.136014D+01 -0.294411D+01  0.644074D+00  0.148184D+00 -0.152233D+01
      3   0.570228D+00 -0.104842D+01  0.148184D+00 -0.242818D+01  0.103215D+01
                26            27            28            29            30 
      1  -0.152233D+01  0.103215D+01  0.180382D+00  0.835178D+00  0.613554D-01
      2  -0.652011D+00 -0.327586D+01  0.835178D+00  0.249191D+01  0.122396D+01
      3  -0.327586D+01  0.417294D+01  0.613554D-01  0.122396D+01  0.621574D+00
                31            32            33            34            35 
      1  -0.851639D+00  0.168072D+00  0.102026D+01 -0.859780D+00  0.130517D+01
      2   0.168072D+00 -0.581814D+01  0.122310D+01  0.130517D+01  0.235663D+01
      3   0.102026D+01  0.122310D+01  0.934314D+00 -0.263490D+00  0.136537D+01
                36            37            38            39            40 
      1  -0.263490D+00  0.533970D+01 -0.833029D+00  0.200285D+01  0.520761D+00
      2   0.136537D+01 -0.833029D+00  0.216830D+00 -0.364637D-01  0.188567D+01
      3  -0.152332D+00  0.200285D+01 -0.364637D-01  0.121163D+01  0.107149D+01
                41            42            43            44            45 
      1   0.188567D+01  0.107149D+01  0.260076D+01 -0.267947D-01  0.222072D+01
      2   0.398067D+01  0.192211D+01 -0.267947D-01  0.382558D+00 -0.568022D+00
      3   0.192211D+01  0.954642D+00  0.222072D+01 -0.568022D+00  0.334615D+01
                46            47            48            49            50 
      1   0.512576D+01  0.408675D+00 -0.302721D+01  0.130286D+01 -0.348794D+01
      2   0.408675D+00 -0.350413D+01 -0.361721D+00 -0.348794D+01 -0.402343D+00
      3  -0.302721D+01 -0.361721D+00  0.249449D+00 -0.541880D+00 -0.203654D+01
                51            52            53            54            55 
      1  -0.541880D+00 -0.356969D+01 -0.336259D+00  0.103005D+01  0.961437D+00
      2  -0.203654D+01 -0.336259D+00 -0.171645D+01 -0.284216D+01  0.623642D+00
      3  -0.201432D+01  0.103005D+01 -0.284216D+01  0.626135D+01  0.188636D+01
                56            57            58            59            60 
      1   0.623642D+00  0.188636D+01  0.219611D+00  0.355191D+01 -0.416166D-01
      2   0.365325D+01  0.225423D+00  0.355191D+01 -0.409629D+00  0.946401D+00
      3   0.225423D+00 -0.200748D+01 -0.416166D-01  0.946401D+00  0.543760D+00
                61            62            63            64            65 
      1   0.280346D+01 -0.966673D+00 -0.250006D+01 -0.214139D+01  0.292791D+01
      2  -0.966673D+00  0.169796D+01  0.911659D+00  0.292791D+01  0.637958D-01
      3  -0.250006D+01  0.911659D+00  0.160411D+01 -0.549252D+00 -0.470298D+00
                66            67            68            69            70 
      1  -0.549252D+00  0.395901D+01  0.114341D+01 -0.112007D+00 -0.256312D+00
      2  -0.470298D+00  0.114341D+01  0.133560D+02 -0.131330D+01 -0.499971D+00
      3  -0.391752D+00 -0.112007D+00 -0.131330D+01  0.195629D+01  0.222510D+00
                71            72            73            74            75 
      1  -0.499971D+00  0.222510D+00 -0.124216D+01  0.451214D+00 -0.814530D+00
      2  -0.922930D+00  0.259832D+01  0.451214D+00 -0.411820D-01  0.183619D+00
      3   0.259832D+01 -0.824494D+00 -0.814530D+00  0.183619D+00 -0.464479D+00
                76            77            78            79            80 
      1   0.671688D+00  0.121959D+00  0.151593D+00 -0.132620D+01  0.532534D+00
      2   0.121959D+00  0.114245D+01 -0.159971D+01  0.532534D+00 -0.198455D+01
      3   0.151593D+00 -0.159971D+01  0.199407D+01 -0.159290D+00  0.183095D+01
                81            82            83            84            85 
      1  -0.159290D+00 -0.221976D+01 -0.159781D+01 -0.165397D+01 -0.239086D+01
      2   0.183095D+01 -0.159781D+01 -0.235897D+01 -0.787441D+00 -0.250694D+01
      3  -0.766142D+01 -0.165397D+01 -0.787441D+00 -0.131015D+01 -0.799250D+00
                86            87            88            89            90 
      1  -0.250694D+01 -0.799250D+00 -0.227320D+01 -0.822233D+00 -0.123431D+01
      2  -0.497995D+01 -0.212313D+01 -0.822233D+00 -0.237948D+01 -0.213355D+01
      3  -0.212313D+01 -0.218547D+01 -0.123431D+01 -0.213355D+01 -0.188339D+01
                91            92            93            94            95 
      1   0.118990D+01 -0.804232D+00  0.103125D+00 -0.235721D+01 -0.723153D-01
      2  -0.804232D+00  0.132006D+00 -0.556626D+00 -0.723153D-01 -0.508330D+01
      3   0.103125D+00 -0.556626D+00  0.193821D+00 -0.163098D+01 -0.591055D+00
                96            97            98            99           100 
      1  -0.163098D+01  0.163019D+00 -0.604031D+00  0.111200D+00 -0.226144D+01
      2  -0.591055D+00 -0.604031D+00 -0.126896D+00 -0.967206D+00 -0.188080D+01
      3  -0.225612D+01  0.111200D+00 -0.967206D+00  0.823577D+00 -0.841885D-02
               101           102           103           104           105 
      1  -0.188080D+01 -0.841885D-02 -0.218200D+01 -0.207086D+01 -0.307867D+00
      2  -0.416593D+01 -0.722364D+00 -0.207086D+01 -0.660139D+01 -0.128019D+01
      3  -0.722364D+00 -0.665177D+00 -0.307867D+00 -0.128019D+01 -0.130854D+01
               106           107           108           109           110 
      1   0.257788D+00  0.524960D-01  0.122379D+00  0.357100D+01 -0.167210D+01
      2   0.524960D-01 -0.350440D+00 -0.598373D+00 -0.167210D+01  0.180398D+01
      3   0.122379D+00 -0.598373D+00 -0.172942D+00 -0.239096D+01  0.135234D+01
               111           112           113           114           115 
      1  -0.239096D+01 -0.709312D+00  0.100511D+01  0.599858D+00 -0.313103D+01
      2   0.135234D+01  0.100511D+01 -0.146304D+01 -0.112707D+01  0.153203D+01
      3   0.323290D+01  0.599858D+00 -0.112707D+01 -0.992844D+00  0.299861D+01
               116           117           118           119           120 
      1   0.153203D+01  0.299861D+01 -0.996951D+01  0.136315D+01  0.161627D+01
      2  -0.199942D+01 -0.209118D+01  0.136315D+01 -0.118479D+01 -0.444900D-02
      3  -0.209118D+01 -0.371780D+01  0.161627D+01 -0.444900D-02 -0.155838D+01
               121           122           123           124           125 
      1  -0.713055D+00 -0.649619D+00  0.701346D-01  0.286461D+01 -0.476387D+00
      2  -0.649619D+00  0.122497D+00  0.470803D+00 -0.476387D+00  0.792450D+00
      3   0.701346D-01  0.470803D+00 -0.798511D-01 -0.155247D+01  0.378945D+00
               126           127           128           129           130 
      1  -0.155247D+01  0.324971D+01  0.537052D+00  0.883483D+00  0.168786D+01
      2   0.378945D+00  0.537052D+00  0.206996D+01  0.409528D+00  0.687076D+00
      3   0.462396D+00  0.883483D+00  0.409528D+00  0.795658D+00  0.383593D+00
               131           132           133           134           135 
      1   0.687076D+00  0.383593D+00  0.126156D+01  0.113498D+00  0.205723D+00
      2   0.516252D+01  0.128717D+01  0.113498D+00  0.225022D+01  0.148512D+01
      3   0.128717D+01  0.162267D+01  0.205723D+00  0.148512D+01  0.720325D+00
               136           137           138           139           140 
      1  -0.108797D+01  0.353292D+00 -0.847105D+00  0.151087D+00 -0.105463D+00
      2   0.353292D+00  0.164794D+00  0.175655D+00 -0.105463D+00  0.120698D+01
      3  -0.847105D+00  0.175655D+00 -0.588643D+00  0.358006D+00 -0.119675D+01
               141           142           143           144           145 
      1   0.358006D+00 -0.179719D+01  0.866462D+00 -0.162495D+01 -0.765177D+01
      2  -0.119675D+01  0.866462D+00 -0.202045D+01  0.247849D+01 -0.120098D+01
      3   0.144018D+01 -0.162495D+01  0.247849D+01 -0.822709D+01  0.363876D+01
               146           147           148           149           150 
      1  -0.120098D+01  0.363876D+01 -0.929998D+00 -0.739660D+00  0.444272D+00
      2  -0.110018D+01  0.802959D+00 -0.739660D+00 -0.779018D+00  0.887461D+00
      3   0.802959D+00 -0.323420D+01  0.444272D+00  0.887461D+00 -0.182845D+00
               151           152           153           154           155 
      1   0.230121D+01  0.422473D+00 -0.204803D+01  0.124734D+01 -0.151145D+01
      2   0.422473D+00  0.632977D+00 -0.237907D+00 -0.151145D+01  0.227392D+01
      3  -0.204803D+01 -0.237907D+00  0.194468D+01  0.872936D+00 -0.783011D+00
               156           157           158           159           160 
      1   0.872936D+00 -0.186903D+01  0.188064D+01 -0.338854D+00  0.705558D+00
      2  -0.783011D+00  0.188064D+01 -0.556573D+01  0.225695D+01 -0.419695D+00
      3   0.132146D+01 -0.338854D+00  0.225695D+01 -0.216253D+01  0.646411D+00
               161           162           163           164           165 
      1  -0.419695D+00  0.646411D+00  0.928795D+00  0.737969D+00  0.115002D+01
      2   0.144201D+01 -0.111214D+01  0.737969D+00  0.136790D+01  0.562185D+00
      3  -0.111214D+01  0.110254D+01  0.115002D+01  0.562185D+00  0.153716D+01
               166           167           168           169           170 
      1   0.133180D+01  0.114666D+01  0.445581D+00  0.118184D+01  0.466996D+00
      2   0.114666D+01  0.270601D+01  0.187254D+01  0.466996D+00  0.163669D+01
      3   0.445581D+00  0.187254D+01  0.322152D+01  0.684749D+00  0.153731D+01
               171 
      1   0.684749D+00
      2   0.153731D+01
      3   0.317341D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.537615D+00 -0.735776D+01 -0.100049D+01 -0.653516D+01  0.199863D+01
      2  -0.249786D+01 -0.272245D+01  0.108399D+02 -0.204594D+01  0.106467D+02
      3  -0.191102D+01 -0.845749D+01  0.232523D+01 -0.444695D+01  0.488203D+01
                 6             7             8             9            10 
      1  -0.103283D+02 -0.111582D+01 -0.434594D+01 -0.203938D+00  0.171112D+01
      2   0.372469D+01  0.439671D+01  0.441391D+01 -0.468324D+01 -0.836124D+01
      3  -0.376398D+01  0.148182D+01 -0.239136D+01 -0.339646D+01  0.201395D+01
                11            12            13            14            15 
      1  -0.120208D-01  0.253245D-01  0.119548D-01  0.609376D+00 -0.327904D+01
      2  -0.222750D+01  0.388849D+01  0.155183D+01 -0.244117D+01 -0.321381D+01
      3   0.356755D+01  0.176081D+01  0.932831D+01 -0.171541D+01  0.361518D+01
                16            17            18            19            20 
      1  -0.134077D+01  0.225979D+01 -0.211076D+01 -0.199947D+01  0.187928D+01
      2  -0.132242D+01 -0.247523D+01  0.559000D+01  0.149352D+01  0.471762D+00
      3  -0.150059D+01  0.267968D+01  0.415107D+01 -0.723957D+00 -0.352659D+01
                21            22            23            24            25 
      1  -0.105812D+01  0.457318D+01 -0.552569D+00  0.907464D+00  0.264899D+01
      2  -0.137942D+01 -0.671665D+00 -0.230753D+01  0.235458D+01 -0.741588D+01
      3   0.130627D+00  0.337233D+01 -0.525983D+00 -0.285780D+01  0.132506D+01
                26            27            28            29            30 
      1   0.389530D+01  0.291642D+01 -0.111219D+01 -0.463912D+01  0.423052D+00
      2  -0.161618D+01  0.317025D+01  0.120169D+02  0.439342D+01  0.263334D+01
      3  -0.814510D+00  0.196836D+00 -0.355023D+01 -0.773572D+01 -0.263099D+01
                31            32            33            34            35 
      1  -0.380399D+01  0.351976D+00  0.642341D+01  0.274134D+01  0.699783D+01
      2  -0.364821D+00  0.140809D+01 -0.560877D+00 -0.929896D+01 -0.260477D+01
      3  -0.594342D+01  0.865604D+01  0.226100D+01 -0.375808D+00  0.371332D+01
                36            37            38            39            40 
      1  -0.125080D+01 -0.924363D+00  0.378840D+01  0.646581D+00  0.282561D+01
      2  -0.919173D+01 -0.171172D+01 -0.134582D+01  0.515015D+01  0.244401D+00
      3  -0.234942D+00  0.219986D+01 -0.670189D+01  0.869764D+00 -0.161788D+01
                41            42            43            44            45 
      1   0.848904D+01  0.247396D+00 -0.114253D+01  0.489900D+01 -0.530447D+00
      2   0.332519D+01  0.298280D+01  0.229489D+01  0.107464D+01  0.892980D+01
      3  -0.132540D+02 -0.602404D+01 -0.167862D+01 -0.536650D+01  0.837368D+00
                46            47            48            49            50 
      1   0.321733D+01  0.271094D+01 -0.392710D+00  0.254935D+01  0.218078D+01
      2   0.102189D+02  0.115791D+01 -0.720502D+00  0.163110D+01  0.268960D+01
      3   0.688347D+01 -0.117816D+02 -0.455777D+01 -0.523982D+01 -0.588727D+01
                51            52            53            54            55 
      1   0.197418D+01 -0.250586D+01  0.714302D+01 -0.742654D+01  0.406339D+01
      2   0.461176D+01 -0.683199D+01  0.672782D+01 -0.136431D+02  0.308510D+01
      3  -0.556013D+01 -0.474593D+01 -0.502180D+01 -0.532204D+01 -0.368311D+01
                56            57            58            59            60 
      1  -0.375143D+01 -0.357145D+01 -0.380050D+01  0.403276D+01 -0.380571D+01
      2  -0.841706D+00  0.209696D+01 -0.107063D+01  0.448600D+01 -0.126551D+01
      3  -0.120209D+02 -0.447215D+01 -0.160311D+01 -0.705707D+01 -0.123907D+01
                61            62            63            64            65 
      1  -0.600179D+01  0.586713D+01  0.333773D+01  0.146507D+01  0.664758D+00
      2  -0.516279D+01  0.134822D+01  0.141453D+01 -0.367120D+01 -0.160456D+01
      3  -0.307386D+01 -0.461131D+00  0.451771D+01 -0.744946D+01  0.804611D+00
                66            67            68            69            70 
      1  -0.623022D+00 -0.964955D+00 -0.115400D+01 -0.123689D+02 -0.803575D+00
      2   0.126301D+01  0.308271D+01 -0.287860D+00  0.235399D+01 -0.120157D+01
      3   0.709436D+00  0.134846D+02 -0.157197D+02  0.148846D+01  0.101776D+01
                71            72            73            74            75 
      1  -0.214386D+00  0.457145D+00 -0.643834D+00  0.462435D+00 -0.156482D+00
      2   0.483912D+01  0.127332D+01 -0.138291D+01  0.638119D+00  0.202579D+00
      3  -0.356037D+00 -0.439827D+01  0.281196D+00 -0.539924D+00  0.475412D+00
                76            77            78            79            80 
      1  -0.213214D+00 -0.207350D+01  0.279748D+00 -0.990863D+00  0.486062D+01
      2   0.156347D+01 -0.600826D+00 -0.176271D+00 -0.381534D+01  0.915781D+00
      3   0.175015D+01 -0.115185D-01  0.875800D+00 -0.406165D+00  0.113029D+00
                81            82            83            84            85 
      1  -0.147528D+01 -0.461771D+00  0.667033D+00 -0.130716D+01  0.477708D+00
      2  -0.545136D-01  0.901959D+00  0.539994D+00  0.252533D+01 -0.166153D+01
      3  -0.473375D+00 -0.374376D+00 -0.433288D+01 -0.271306D+00  0.128703D+01
                86            87            88            89            90 
      1   0.113367D+01 -0.258496D+01 -0.259354D+00  0.156347D+01 -0.756596D+00
      2   0.126689D+01  0.350981D+01 -0.165536D+01  0.218971D+01  0.212875D+01
      3  -0.632070D+01 -0.281503D+01  0.171676D+01 -0.319757D+01 -0.234463D+01
                91            92            93            94            95 
      1  -0.633770D-01 -0.237098D+01  0.341737D+00 -0.221857D+01 -0.105855D+02
      2   0.202502D+01  0.485317D-01  0.136003D+00 -0.845112D+00 -0.175876D+01
      3   0.693267D-01  0.689906D+00  0.831791D+00  0.244950D+01  0.167479D+02
                96            97            98            99           100 
      1  -0.341185D+01 -0.456720D+00 -0.105212D+01  0.107792D+01  0.107749D+01
      2  -0.491205D+01 -0.774574D+00 -0.260325D+01 -0.648607D-02 -0.182039D+01
      3   0.402720D+01  0.302841D+00  0.298750D+01  0.236024D+01  0.897302D+01
               101           102           103           104           105 
      1   0.203733D+01 -0.214893D+01  0.335042D+00  0.249753D+01 -0.313207D+01
      2  -0.868100D+00  0.732746D+00 -0.165252D+01 -0.180082D+01 -0.186434D+00
      3   0.640048D+01  0.396482D+00  0.809892D+01  0.988556D+01  0.232636D+01
               106           107           108           109           110 
      1   0.377374D+00  0.163088D+00  0.643693D+00 -0.352365D+01  0.126695D+01
      2   0.174773D+00 -0.436738D-01  0.525584D+00  0.521836D+00  0.597912D+00
      3  -0.887893D+00  0.168477D+00  0.945105D-03 -0.531951D+01  0.588838D+00
               111           112           113           114           115 
      1   0.671525D+01  0.531324D+00 -0.945316D+00 -0.199699D+01  0.480563D+01
      2   0.332864D+01 -0.767224D-01 -0.257602D+00 -0.929982D+00 -0.565496D+00
      3   0.322000D+01  0.148929D+01  0.224022D+00 -0.195915D+00  0.498576D+01
               116           117           118           119           120 
      1  -0.126643D+01 -0.599509D+01 -0.260139D+01  0.125012D-01  0.209703D+01
      2  -0.124437D+01 -0.291162D+01 -0.818588D+01  0.470623D+00  0.752041D+01
      3  -0.248045D+00 -0.403714D+01 -0.833640D+01 -0.449421D+01  0.211235D+01
               121           122           123           124           125 
      1   0.377456D+00 -0.569287D+00 -0.930029D+00  0.150739D+01  0.291584D+00
      2  -0.164186D+00 -0.161089D+01  0.326745D+00  0.389468D+01 -0.803356D+00
      3  -0.101512D+01 -0.565636D+00  0.131509D+01  0.211795D+01  0.248810D+01
               126           127           128           129           130 
      1  -0.788245D+00 -0.184370D+01 -0.109537D+01 -0.184494D+01 -0.116940D+01
      2  -0.248891D+01 -0.137694D+01 -0.762664D+00 -0.661272D+00 -0.775273D+00
      3  -0.541336D+00  0.111156D+02  0.485917D+01  0.270582D+01  0.735901D+01
               131           132           133           134           135 
      1  -0.373695D+01 -0.474809D+01 -0.503510D+00 -0.150603D+01 -0.209963D+01
      2  -0.261912D+01 -0.300865D+01 -0.145192D+01 -0.283003D+01 -0.132659D+01
      3   0.131419D+02  0.416975D+01  0.279580D+01  0.543201D+01  0.372216D+01
               136           137           138           139           140 
      1   0.585120D+00 -0.418776D+00  0.608428D+00 -0.509016D+00  0.112151D+00
      2   0.109782D+01 -0.523680D+00  0.179186D+01 -0.356777D+00  0.243740D+01
      3  -0.132290D+00  0.110731D+00 -0.799412D-01  0.138595D+01  0.270122D+01
               141           142           143           144           145 
      1  -0.214921D+01  0.732296D+00  0.154710D+01  0.851707D+01  0.106342D+01
      2  -0.320078D+01 -0.944892D+00 -0.430456D+01  0.173526D+02  0.807514D+01
      3  -0.217172D+01 -0.655010D+00 -0.412900D+01  0.432294D+01  0.480886D+01
               146           147           148           149           150 
      1  -0.220966D+01 -0.166740D+01 -0.346764D+00 -0.289232D+00  0.155065D+00
      2   0.448475D+00  0.205253D+01  0.101316D+01 -0.623096D+00 -0.282929D+00
      3  -0.319352D+01 -0.138327D+01  0.701312D+00 -0.751215D+00  0.863334D+00
               151           152           153           154           155 
      1  -0.952211D+00  0.207077D+01  0.113674D+01 -0.204410D+01  0.439426D+01
      2  -0.273450D+01 -0.616154D+00 -0.171193D+00 -0.485926D+01  0.392073D+01
      3  -0.136412D+01  0.131124D+01  0.142110D+01 -0.447334D+01  0.355907D+01
               156           157           158           159           160 
      1   0.121027D+01  0.389723D+01 -0.810448D+01 -0.114197D+01  0.918404D-01
      2  -0.173405D+01  0.492231D+01 -0.689123D+01  0.259351D+01 -0.313132D+01
      3  -0.144698D+01  0.677708D+01 -0.838695D+01  0.269245D+01 -0.141005D+01
               161           162           163           164           165 
      1   0.246801D+01 -0.523353D+00  0.257252D+01  0.397123D+01  0.170306D+01
      2   0.226493D+01 -0.194129D+01 -0.459730D+01 -0.244448D+01 -0.307925D+01
      3   0.185506D+01 -0.223966D+01  0.971614D+00  0.706207D+00 -0.425754D-01
               166           167           168           169           170 
      1   0.301130D+01  0.725835D+01  0.330239D+01  0.180490D+01  0.585638D+01
      2  -0.432382D+01 -0.506095D+01 -0.472060D+01 -0.479264D+01 -0.326758D+01
      3   0.272138D+01  0.259181D+01  0.196589D+01  0.354302D+00  0.123752D+01
               171 
      1   0.442124D+01
      2  -0.493902D+01
      3   0.145748D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.135382D+02 -0.827275D+01  0.176598D+02 -0.749549D+01  0.188536D+02
      2   0.132637D+02  0.124983D+02 -0.897289D+01  0.112380D+02 -0.890875D+01
      3   0.274514D+00 -0.422551D+01 -0.868686D+01 -0.374247D+01 -0.994486D+01
      4  -0.111768D+02  0.553942D+01  0.736430D+01  0.664293D+01  0.170000D+01
      5   0.251507D+02  0.539469D+01 -0.118856D+02  0.370424D+01 -0.181074D+01
      6   0.865624D+01 -0.959865D+01 -0.348649D+01 -0.882597D+01  0.591732D+01
                 6             7             8             9            10 
      1   0.455805D+01  0.127361D+02  0.429027D+01 -0.798401D+01  0.103828D+02
      2   0.848217D+01 -0.601708D+01  0.699027D+01 -0.202875D+01 -0.122638D+02
      3  -0.130402D+02 -0.671902D+01 -0.112805D+02  0.100128D+02  0.188104D+01
      4   0.530618D+01  0.607831D+01  0.400951D+01  0.583226D+01 -0.399442D+01
      5   0.159826D+01 -0.910469D+01  0.378369D+01 -0.655994D+01 -0.114048D+02
      6  -0.719174D+01 -0.207108D+01 -0.527272D+01 -0.878932D+01 -0.571908D+01
                11            12            13            14            15 
      1   0.388055D+00 -0.953281D+01  0.457743D+01 -0.110682D+02 -0.181237D+01
      2  -0.629461D+00  0.360344D+01 -0.324501D+01 -0.407208D+00 -0.391571D+01
      3   0.241406D+00  0.592938D+01 -0.133242D+01  0.114754D+02  0.572808D+01
      4  -0.156386D+02 -0.512431D+01 -0.158352D+02 -0.759202D+01 -0.116103D+02
      5  -0.295422D+01 -0.140903D+01 -0.713371D+00 -0.131449D+02 -0.719026D+01
      6  -0.529486D+01 -0.550409D+00 -0.556361D+01 -0.469019D+01 -0.326956D+01
                16            17            18            19            20 
      1  -0.106684D+02 -0.131711D+01  0.343697D+01 -0.766922D+01 -0.763349D+01
      2   0.378254D+01 -0.205048D+01 -0.174021D+01  0.738180D+01  0.931227D+01
      3   0.688585D+01  0.336759D+01 -0.169676D+01  0.287415D+00 -0.167878D+01
      4  -0.251770D+01 -0.930910D+01 -0.112305D+02  0.552890D+01 -0.263997D+00
      5  -0.293972D+01 -0.103899D+02  0.926353D+01  0.919427D+00 -0.150424D+01
      6  -0.225159D+01 -0.572518D+01  0.585724D+00  0.443344D+01  0.551768D+01
                21            22            23            24            25 
      1  -0.201842D+00 -0.381803D+01  0.373745D+01 -0.363777D+01  0.478619D+01
      2   0.250220D+00  0.460595D+01 -0.126684D+01 -0.469774D+01  0.651058D+00
      3  -0.483787D-01 -0.787922D+00 -0.247061D+01  0.833551D+01 -0.543725D+01
      4   0.576269D+00 -0.474713D+01  0.108127D+02  0.863314D+00 -0.115288D+01
      5  -0.143396D+01 -0.162120D+01  0.284215D+01  0.506405D+01  0.270297D+01
      6   0.406946D+01  0.118188D+01 -0.307946D+00 -0.784116D+01 -0.588239D+00
                26            27            28            29            30 
      1  -0.674791D+01  0.731009D+01 -0.465988D+01  0.226442D+01 -0.709794D+00
      2  -0.905987D+00  0.134850D+02  0.125520D+01 -0.258849D+01  0.747429D+01
      3   0.765390D+01 -0.207951D+02  0.340468D+01  0.324065D+00 -0.676450D+01
      4   0.477179D+01 -0.271612D+01  0.299367D+01  0.286478D+01  0.172366D+01
      5  -0.932882D+00 -0.131845D+01 -0.704150D+01  0.383417D+01 -0.182685D+01
      6   0.358359D+01  0.620926D+01 -0.158563D+01 -0.220581D+01  0.196774D+01
                31            32            33            34            35 
      1   0.734602D+01  0.190852D+02  0.194406D+01 -0.116282D+02  0.596391D+01
      2  -0.769627D+01 -0.352540D+02 -0.153609D+01  0.949773D+01 -0.187913D+01
      3   0.350249D+00  0.161688D+02 -0.407969D+00  0.213049D+01 -0.408479D+01
      4  -0.149646D+02 -0.182620D+02  0.342701D+01  0.387857D+01 -0.273402D+00
      5   0.651523D+01  0.581238D+01 -0.723750D+00  0.387137D+00  0.153179D+01
      6   0.499371D+00  0.200724D+01 -0.111608D+02 -0.942131D+00  0.105052D+01
                36            37            38            39            40 
      1  -0.985947D+00  0.353725D+02 -0.204410D+01  0.726852D+01  0.195974D+01
      2  -0.214767D+01 -0.233543D+02  0.191753D+01 -0.977108D+01 -0.116079D+01
      3   0.313362D+01 -0.120183D+02  0.126573D+00  0.250257D+01 -0.798946D+00
      4   0.111792D+01 -0.215346D+01  0.759860D+01  0.134885D+00  0.131454D+02
      5  -0.845422D+01  0.142308D+02 -0.135489D+01  0.141859D+02  0.231246D+01
      6  -0.116293D+01  0.612454D+00  0.947016D+00 -0.234685D+01  0.643205D+00
                41            42            43            44            45 
      1   0.592615D+01  0.393524D+01  0.111229D+02 -0.818871D+00  0.315233D+01
      2  -0.202312D+01 -0.320451D+01 -0.111602D+02  0.135865D+01 -0.152481D+02
      3  -0.390303D+01 -0.730723D+00  0.372889D-01 -0.539780D+00  0.120958D+02
      4   0.110914D+02  0.591765D+01 -0.255429D+01  0.355597D+01 -0.720091D+00
      5   0.608270D+01  0.283604D+01  0.156057D+02 -0.176586D+01  0.177705D+02
      6  -0.135354D+01  0.530512D+01  0.451574D+00  0.431025D+01  0.353243D-02
                46            47            48            49            50 
      1  -0.374503D+02  0.495632D+01  0.177800D+02 -0.293206D+01  0.168523D+02
      2   0.202104D+02 -0.101330D+02 -0.999783D+01 -0.532168D+01 -0.956642D+01
      3   0.172399D+02  0.517670D+01 -0.778215D+01  0.825374D+01 -0.728591D+01
      4   0.330763D+01  0.130538D+02 -0.231228D+01  0.141634D+02 -0.445165D+01
      5   0.135089D+02  0.299604D+00 -0.956339D-01  0.889870D+00  0.103150D+02
      6  -0.532340D+01  0.114523D+00  0.436789D+00  0.119994D+01 -0.507009D+01
                51            52            53            54            55 
      1   0.314485D+01  0.216492D+02  0.143832D+01  0.431504D+01  0.107350D+02
      2  -0.921421D+01 -0.992833D+01 -0.865488D+01  0.624432D+01 -0.501818D+01
      3   0.606937D+01 -0.117208D+02  0.721656D+01 -0.105594D+02 -0.571682D+01
      4   0.656718D+01 -0.211368D+01  0.506918D+01  0.942856D+01 -0.417600D+01
      5   0.908129D+01 -0.339297D+01  0.105609D+02 -0.263001D+02  0.521519D+01
      6  -0.371244D+01  0.186861D+01 -0.377639D+01  0.124803D+02 -0.791084D+01
                56            57            58            59            60 
      1   0.118232D+02  0.217954D+01  0.851059D+01  0.216008D+01  0.218572D+01
      2  -0.209099D+02 -0.608608D+01 -0.161892D+02  0.387798D+01 -0.365351D+01
      3   0.908665D+01  0.390654D+01  0.767865D+01 -0.603805D+01  0.146779D+01
      4   0.254092D+01 -0.475201D+01  0.650954D+01 -0.189861D+02  0.271455D+01
      5  -0.331400D+01 -0.113212D+01 -0.236402D+01 -0.218022D+01 -0.502098D+00
      6  -0.283582D+01  0.635406D+01 -0.831084D+00 -0.554936D+01  0.448506D+01
                61            62            63            64            65 
      1  -0.851777D+00  0.231152D+01 -0.464193D+01  0.338627D+01  0.638243D+01
      2  -0.361077D+01 -0.406028D+01 -0.698990D+00  0.486525D+01 -0.252701D+01
      3   0.446254D+01  0.174876D+01  0.534092D+01 -0.825152D+01 -0.385542D+01
      4  -0.608175D+01  0.449814D+01  0.101232D+02  0.392990D+01  0.155093D+02
      5  -0.646496D+01  0.517080D+01  0.948173D+01 -0.941602D+00 -0.226298D+01
      6   0.117233D+02 -0.279810D+01 -0.587720D+01 -0.100440D+01 -0.145107D+01
                66            67            68            69            70 
      1   0.574449D+00  0.273415D+01 -0.351835D+02  0.167841D+01  0.538264D+00
      2  -0.141782D+01  0.228387D+01  0.651359D+02 -0.177621D+01 -0.202987D+01
      3   0.843371D+00 -0.501802D+01 -0.299524D+02  0.977994D-01  0.149161D+01
      4  -0.204078D+01  0.214537D+02  0.327798D+02 -0.349212D+01 -0.182112D+01
      5   0.394977D+01 -0.185394D+01 -0.688506D+01  0.699543D+01  0.428635D+01
      6   0.675788D+00 -0.189252D+01 -0.352873D+01  0.181025D+02  0.175251D+01
                71            72            73            74            75 
      1  -0.208920D+00 -0.736042D+01  0.723187D+00  0.509171D+00 -0.737027D+00
      2  -0.123455D+01  0.634863D+01 -0.483678D+01 -0.315022D-01 -0.908022D+00
      3   0.144347D+01  0.101179D+01  0.411360D+01 -0.477669D+00  0.164505D+01
      4  -0.205567D+01  0.649375D+01 -0.998715D-01  0.158063D+01 -0.846480D+00
      5   0.726610D+01 -0.224695D+01  0.985705D+00 -0.164759D+01  0.636292D+01
      6   0.151678D+02 -0.214597D+01 -0.212189D+01 -0.171139D-02 -0.206059D+00
                76            77            78            79            80 
      1   0.353962D+00 -0.414743D+01  0.467522D+01 -0.451441D+00  0.338165D+01
      2   0.697684D+00 -0.107854D+01  0.406010D+01 -0.197637D+01  0.508156D+01
      3  -0.105165D+01  0.522597D+01 -0.873531D+01  0.242781D+01 -0.846321D+01
      4   0.225018D+01  0.357557D+00 -0.317272D-01 -0.109230D+00 -0.217718D+01
      5  -0.118469D+01  0.287500D+00 -0.376046D+00  0.508588D+01  0.119807D+00
      6   0.896433D+00 -0.433128D+01  0.829651D+01 -0.112026D+01  0.625573D+01
                81            82            83            84            85 
      1  -0.180124D+02  0.100499D+02  0.492329D+01  0.498940D+01  0.414784D+01
      2  -0.187504D+02 -0.252242D+01 -0.265469D+00 -0.191605D+01  0.157208D+01
      3   0.367628D+02 -0.752745D+01 -0.465782D+01 -0.307334D+01 -0.571992D+01
      4   0.875163D+00  0.121294D+02  0.141494D+02  0.591023D+01  0.146891D+02
      5  -0.137526D+00  0.830999D+01  0.514839D+01  0.783232D+01  0.526629D+01
      6  -0.611298D+01  0.440474D+01  0.400572D+01  0.367922D+01  0.447899D+01
                86            87            88            89            90 
      1  -0.756806D+00  0.446629D-01  0.424116D+01 -0.118971D+01 -0.772555D+00
      2   0.108472D+02  0.352657D+01 -0.225957D+01  0.212344D+01 -0.135214D+01
      3  -0.100904D+02 -0.357124D+01 -0.198159D+01 -0.933733D+00  0.212469D+01
      4   0.208460D+02  0.894573D+01  0.552302D+01  0.904738D+01  0.889037D+01
      5   0.839682D+01  0.773332D+01  0.839115D+01  0.812940D+01  0.828113D+01
      6   0.103825D+02  0.861720D+01  0.409771D+01  0.944651D+01  0.782557D+01
                91            92            93            94            95 
      1   0.315103D+01 -0.285102D+01  0.346416D+00 -0.101716D+02 -0.287372D+01
      2  -0.443434D+00  0.245935D+00  0.165337D+01  0.619178D+01  0.265572D+01
      3  -0.270759D+01  0.260509D+01 -0.199978D+01  0.397980D+01  0.218005D+00
      4  -0.534536D+01  0.175423D+01 -0.212610D+01  0.101992D+01 -0.163101D+02
      5  -0.421993D+00 -0.210584D+01 -0.811054D-01 -0.704279D+01 -0.102954D+01
      6  -0.100726D+01  0.176187D+01 -0.142427D+01  0.295306D+01 -0.207276D+01
                96            97            98            99           100 
      1  -0.463087D+01 -0.212198D+01 -0.388686D+00 -0.147931D+01 -0.512331D+01
      2   0.556559D+01  0.178174D+01 -0.314235D+00  0.160207D+01  0.891216D+01
      3  -0.934724D+00  0.340244D+00  0.702920D+00 -0.122761D+00 -0.378885D+01
      4  -0.662311D-01 -0.336462D+01  0.352871D+00 -0.339487D+01  0.796558D+01
      5  -0.785413D+01  0.748421D+00 -0.310482D+01  0.989203D+00  0.336888D+01
      6   0.252516D+01 -0.316703D+00  0.296659D+01 -0.327308D+01  0.235580D+01
               101           102           103           104           105 
      1  -0.124325D+02 -0.244698D+01 -0.820698D+01 -0.211048D+02 -0.477833D+01
      2   0.189780D+02  0.172677D+01  0.113924D+02  0.319587D+02  0.419814D+01
      3  -0.654556D+01  0.720212D+00 -0.318539D+01 -0.108538D+02  0.580194D+00
      4   0.781492D+01  0.254725D+00  0.764130D+01  0.590735D+01  0.193796D+00
      5   0.249964D+01  0.776924D+00  0.279939D+01  0.208893D+01 -0.610893D+00
      6   0.768071D+01  0.375944D+01  0.393945D+01  0.126949D+02  0.763452D+01
               106           107           108           109           110 
      1   0.123873D+01 -0.134999D+01 -0.128966D+01  0.414397D+01  0.162247D+01
      2  -0.603494D+00  0.110877D+01  0.102894D+01 -0.467785D+01 -0.191067D+01
      3  -0.635232D+00  0.241221D+00  0.260727D+00  0.533887D+00  0.288200D+00
      4  -0.208586D+00 -0.255510D+00  0.276948D+00 -0.123828D+02  0.837165D+01
      5   0.231497D+01  0.170739D+00  0.566245D+00 -0.136100D+02  0.691003D+01
      6  -0.170231D+00  0.453917D+01  0.139040D+01  0.108606D+02 -0.870696D+01
               111           112           113           114           115 
      1   0.228084D+00  0.116857D+01 -0.394581D+01 -0.289571D+01  0.355298D+00
      2   0.413273D+01 -0.202042D+01  0.453074D+01  0.285643D+01  0.448262D+01
      3  -0.436081D+01  0.851843D+00 -0.584926D+00  0.392774D-01 -0.483792D+01
      4   0.922435D+01  0.593847D+01 -0.519814D+01 -0.441796D+01  0.108249D+02
      5   0.134673D+02  0.277324D+01 -0.446991D+01 -0.326812D+01  0.144317D+02
      6  -0.137355D+02 -0.503332D+01  0.715521D+01  0.828929D+01 -0.128141D+02
               116           117           118           119           120 
      1  -0.474940D+01 -0.426863D+01  0.674714D+02 -0.620107D+01 -0.105562D+02
      2   0.247489D+01 -0.444194D+01 -0.333877D+02  0.114870D+01  0.534335D+01
      3   0.227450D+01  0.871057D+01 -0.340837D+02  0.505237D+01  0.521286D+01
      4  -0.699115D+01 -0.110828D+02 -0.174162D+02  0.108883D+02  0.220661D+01
      5  -0.742073D+01 -0.148033D+02 -0.592384D+01  0.599445D-01  0.108106D+02
      6   0.124172D+02  0.166905D+02  0.317630D+01  0.578871D-01 -0.341664D+01
               121           122           123           124           125 
      1   0.412370D+01  0.403889D+01 -0.900320D+00 -0.177163D+02  0.185515D+01
      2  -0.353857D+01 -0.361179D+00  0.153620D+01  0.927224D+01  0.617743D+00
      3  -0.585126D+00 -0.367771D+01 -0.635877D+00  0.844405D+01 -0.247289D+01
      4   0.726589D+01 -0.857004D+00 -0.267868D+01  0.520129D+01 -0.442585D+01
      5  -0.196165D+00 -0.232646D+01  0.497265D+00  0.102214D+02 -0.177850D+01
      6  -0.325254D+00  0.766835D+00  0.129928D+01 -0.258415D+01  0.166572D+01
               126           127           128           129           130 
      1   0.732648D+01 -0.274600D+01 -0.540785D+01 -0.406007D+01 -0.770713D+01
      2  -0.569555D+01  0.343475D+01  0.721651D+01  0.289206D+01  0.656328D+01
      3  -0.163093D+01 -0.688750D+00 -0.180866D+01  0.116802D+01  0.114385D+01
      4  -0.260664D+01  0.638245D+01 -0.348514D+01  0.856747D+00  0.336887D+01
      5  -0.397300D+01 -0.314734D+01 -0.107399D+01 -0.196067D+01 -0.203757D+01
      6   0.536989D+00  0.188628D+01  0.913361D+00  0.248786D+01  0.750831D+00
               131           132           133           134           135 
      1  -0.151188D+02 -0.466298D+01 -0.611606D+01 -0.450454D+01 -0.529975D+01
      2   0.247487D+02  0.733932D+01  0.325341D+01  0.785146D+01  0.332009D+01
      3  -0.962997D+01 -0.267635D+01  0.286265D+01 -0.334692D+01  0.197966D+01
      4  -0.145395D+02 -0.336236D+01  0.251839D+01 -0.657839D+01 -0.361475D+01
      5  -0.531357D+01 -0.659189D+01  0.328707D+00 -0.523918D+01 -0.161399D+01
      6   0.429600D+01  0.635052D+01  0.718203D+00  0.606814D+01  0.324935D+01
               136           137           138           139           140 
      1   0.564777D+01 -0.189599D+01  0.298417D+01 -0.301207D+00 -0.462195D+01
      2  -0.479658D+01  0.141546D+01 -0.216892D+01  0.499019D+00  0.310593D+01
      3  -0.851186D+00  0.480531D+00 -0.815242D+00 -0.197812D+00  0.151602D+01
      4  -0.292150D+01  0.151880D+01 -0.266761D+01  0.254138D+01 -0.476198D+01
      5   0.443804D+01 -0.214347D+01  0.786013D+01 -0.228581D+01  0.507734D+01
      6  -0.166914D+01  0.841509D+00 -0.165392D+01  0.164321D+01 -0.490066D+01
               141           142           143           144           145 
      1   0.226185D+01  0.586653D+01  0.236101D+01 -0.932420D+01  0.333060D+02
      2  -0.961186D+00 -0.548731D+01 -0.302348D+00 -0.134360D+02 -0.229316D+02
      3  -0.130066D+01 -0.379214D+00 -0.205866D+01  0.227602D+02 -0.103745D+02
      4   0.545920D+01 -0.657173D+01  0.888325D+01 -0.922748D+01  0.154542D+02
      5  -0.682089D+01  0.133097D+02 -0.109679D+02  0.365634D+02 -0.338105D+02
      6   0.960631D+01 -0.370964D+01  0.106812D+02 -0.191326D+02 -0.707018D+01
               146           147           148           149           150 
      1   0.311049D+01 -0.951774D+01  0.260579D+01  0.932459D+00 -0.495486D+00
      2  -0.141195D+01  0.131419D+02 -0.112549D+01  0.364975D-01 -0.430652D+00
      3  -0.169854D+01 -0.362420D+01 -0.148030D+01 -0.968957D+00  0.926138D+00
      4   0.936753D+01 -0.784083D+01  0.778753D+01  0.393458D+01 -0.425966D+01
      5  -0.593989D+01  0.232535D+02 -0.377829D+01 -0.423915D+01  0.220968D+01
      6  -0.536343D+01  0.628379D+01 -0.338863D+01 -0.306411D+01  0.474812D+01
               151           152           153           154           155 
      1  -0.576929D+01 -0.625182D+00  0.387994D+01 -0.371701D+01  0.833442D+01
      2   0.869710D+01  0.301536D+00 -0.939334D+01  0.320614D+01 -0.820621D+01
      3  -0.292780D+01  0.323646D+00  0.551340D+01  0.510865D+00 -0.128208D+00
      4  -0.492680D+01 -0.320063D+01  0.398952D+01 -0.988193D+00  0.744815D+00
      5   0.169855D+02  0.270542D+01 -0.138262D+02  0.131643D+01 -0.272562D+01
      6   0.431758D+01  0.407174D+01 -0.366658D+01 -0.485396D+01  0.867746D+01
               156           157           158           159           160 
      1  -0.676690D+01  0.773689D+01 -0.202928D+02  0.859353D+01 -0.377755D+01
      2   0.169543D+01 -0.767288D+01  0.224405D+02 -0.379764D+01  0.117344D+01
      3   0.507148D+01 -0.640157D-01 -0.214771D+01 -0.479588D+01  0.260411D+01
      4  -0.364518D+00  0.255119D+01  0.643003D+01 -0.377542D+01 -0.954501D+00
      5   0.177808D+01 -0.468344D+01  0.552294D+00  0.213300D+01  0.316779D+01
      6  -0.504993D+01  0.585248D+01 -0.197622D+02  0.129929D+02 -0.342636D+01
               161           162           163           164           165 
      1   0.603962D+01 -0.683091D+01 -0.190883D+01 -0.120849D+01 -0.688435D+01
      2  -0.304285D+01  0.177226D+01 -0.207537D+01 -0.230257D+01 -0.197316D+01
      3  -0.299678D+01  0.505865D+01  0.398419D+01  0.351106D+01  0.885752D+01
      4  -0.141894D+01  0.256254D+00  0.238192D+00 -0.918600D+00 -0.148271D+01
      5  -0.366407D+00  0.445715D+00  0.805027D+00  0.157440D+01  0.271638D+01
      6   0.102036D+02 -0.648994D+01  0.187993D+01  0.494058D+01  0.215597D+01
               166           167           168           169           170 
      1  -0.281575D+01 -0.779961D+01 -0.833718D+01 -0.473166D+01 -0.487056D+01
      2  -0.706567D+00  0.182615D+00 -0.611818D+01 -0.817120D+00 -0.459304D+01
      3   0.352232D+01  0.761699D+01  0.144554D+02  0.554878D+01  0.946360D+01
      4  -0.754077D+00 -0.562573D+01 -0.375270D+01 -0.164764D+01 -0.350225D+01
      5   0.350056D+01 -0.556185D-01 -0.421025D+01  0.460292D+01 -0.197269D+00
      6   0.376896D+01  0.101050D+02  0.809204D+01  0.234036D+01  0.813553D+01
               171 
      1  -0.995035D+01
      2  -0.764750D+01
      3   0.175978D+02
      4  -0.269060D+01
      5  -0.218035D+01
      6   0.637311D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Aug 13 11:24:46 2021, MaxMem=  5368709120 cpu:           16410.2 elap:            2052.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.30638 -19.25106 -14.47113 -10.42326 -10.35211
 Alpha  occ. eigenvalues --  -10.32219 -10.29374 -10.28690  -1.20563  -1.12233
 Alpha  occ. eigenvalues --   -1.02569  -0.91250  -0.80657  -0.79154  -0.70396
 Alpha  occ. eigenvalues --   -0.68636  -0.61388  -0.60446  -0.58693  -0.56304
 Alpha  occ. eigenvalues --   -0.52932  -0.52528  -0.50850  -0.48958  -0.47368
 Alpha  occ. eigenvalues --   -0.46209  -0.43542  -0.42930  -0.42660  -0.39738
 Alpha  occ. eigenvalues --   -0.38160  -0.34547
 Alpha virt. eigenvalues --    0.02370   0.03976   0.04355   0.05152   0.06369
 Alpha virt. eigenvalues --    0.06520   0.07176   0.07795   0.08250   0.08855
 Alpha virt. eigenvalues --    0.09166   0.09684   0.10997   0.11636   0.12537
 Alpha virt. eigenvalues --    0.13450   0.14065   0.14440   0.14714   0.15124
 Alpha virt. eigenvalues --    0.15776   0.16326   0.17435   0.17869   0.18249
 Alpha virt. eigenvalues --    0.18432   0.19126   0.19661   0.20470   0.20615
 Alpha virt. eigenvalues --    0.21062   0.21510   0.21811   0.22723   0.24205
 Alpha virt. eigenvalues --    0.25023   0.25547   0.26485   0.26972   0.27042
 Alpha virt. eigenvalues --    0.28935   0.29068   0.29595   0.30569   0.30965
 Alpha virt. eigenvalues --    0.31387   0.33038   0.33095   0.33806   0.34645
 Alpha virt. eigenvalues --    0.35303   0.35802   0.36275   0.36656   0.37473
 Alpha virt. eigenvalues --    0.38420   0.40172   0.40271   0.42093   0.42851
 Alpha virt. eigenvalues --    0.43010   0.43498   0.44298   0.44526   0.44989
 Alpha virt. eigenvalues --    0.45824   0.46695   0.47080   0.47930   0.48835
 Alpha virt. eigenvalues --    0.49204   0.50213   0.50766   0.51874   0.52518
 Alpha virt. eigenvalues --    0.53837   0.54789   0.55593   0.55905   0.56690
 Alpha virt. eigenvalues --    0.57549   0.58122   0.58829   0.59732   0.60286
 Alpha virt. eigenvalues --    0.60836   0.62693   0.63600   0.64048   0.64438
 Alpha virt. eigenvalues --    0.65635   0.66717   0.67688   0.68195   0.69738
 Alpha virt. eigenvalues --    0.70799   0.71056   0.71930   0.72651   0.73308
 Alpha virt. eigenvalues --    0.74219   0.74554   0.75711   0.76622   0.76771
 Alpha virt. eigenvalues --    0.77892   0.78419   0.80361   0.80788   0.80978
 Alpha virt. eigenvalues --    0.82380   0.83566   0.84446   0.84959   0.86188
 Alpha virt. eigenvalues --    0.87944   0.88997   0.90322   0.90507   0.92300
 Alpha virt. eigenvalues --    0.93787   0.94438   0.95154   0.97212   0.98210
 Alpha virt. eigenvalues --    1.02487   1.03663   1.03922   1.05152   1.06929
 Alpha virt. eigenvalues --    1.07675   1.09478   1.11694   1.12634   1.13761
 Alpha virt. eigenvalues --    1.14001   1.17205   1.18614   1.21146   1.21947
 Alpha virt. eigenvalues --    1.24252   1.24694   1.25186   1.27103   1.29215
 Alpha virt. eigenvalues --    1.31116   1.33329   1.33683   1.35578   1.37551
 Alpha virt. eigenvalues --    1.38148   1.41843   1.44820   1.46100   1.49155
 Alpha virt. eigenvalues --    1.49666   1.52630   1.53558   1.57333   1.58158
 Alpha virt. eigenvalues --    1.60421   1.61664   1.62601   1.65391   1.66968
 Alpha virt. eigenvalues --    1.69660   1.72777   1.74122   1.75028   1.78360
 Alpha virt. eigenvalues --    1.79879   1.81112   1.82182   1.82517   1.84810
 Alpha virt. eigenvalues --    1.86118   1.87345   1.88728   1.89666   1.92088
 Alpha virt. eigenvalues --    1.92691   1.95381   1.97158   1.98002   1.99604
 Alpha virt. eigenvalues --    2.01161   2.02953   2.04162   2.05930   2.09479
 Alpha virt. eigenvalues --    2.11577   2.12777   2.13028   2.15966   2.17338
 Alpha virt. eigenvalues --    2.17809   2.20320   2.21544   2.23349   2.25747
 Alpha virt. eigenvalues --    2.26291   2.27932   2.28969   2.31364   2.32753
 Alpha virt. eigenvalues --    2.35670   2.36255   2.38546   2.40073   2.41237
 Alpha virt. eigenvalues --    2.44310   2.45527   2.46415   2.49233   2.54112
 Alpha virt. eigenvalues --    2.55894   2.58302   2.58845   2.61981   2.63196
 Alpha virt. eigenvalues --    2.66447   2.69904   2.70546   2.72799   2.74838
 Alpha virt. eigenvalues --    2.76325   2.78893   2.83836   2.84390   2.92815
 Alpha virt. eigenvalues --    2.93706   2.97087   2.99973   3.09745   3.15577
 Alpha virt. eigenvalues --    3.21154   3.23778   3.34765   3.41356   3.46849
 Alpha virt. eigenvalues --    3.50774   3.52451   3.56075   3.56355   3.58491
 Alpha virt. eigenvalues --    3.59500   3.66151   3.73831   3.89286   3.95096
 Alpha virt. eigenvalues --    4.13781
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.722880   0.036608  -0.353800   0.036674   0.002869  -0.228819
     2  C    0.036608   7.760980   0.418757  -0.819923   0.057447  -0.073809
     3  C   -0.353800   0.418757   8.797578  -1.619221   0.125966  -0.392934
     4  C    0.036674  -0.819923  -1.619221   6.808052  -0.258510   0.173849
     5  O    0.002869   0.057447   0.125966  -0.258510   8.473813  -0.002284
     6  C   -0.228819  -0.073809  -0.392934   0.173849  -0.002284   4.883745
     7  N    0.006732   0.049019  -0.447534   0.260194  -0.080090   0.020984
     8  O    0.022872   0.014206   0.029960   0.221469  -0.085079  -0.015641
     9  H    0.113381  -0.010202  -1.010507   0.078888   0.013552   0.031647
    10  H    0.015414  -1.181829   0.090777   0.174689   0.001145   0.052501
    11  H   -0.003501  -0.030208  -0.164794   0.020551   0.201331   0.008295
    12  H   -0.017530  -0.034673  -0.123048   0.001039   0.010307   0.022973
    13  H   -0.008109  -0.022652   0.244356  -0.064804  -0.008352  -0.010936
    14  H   -0.027506   0.357524   0.102363  -0.056506  -0.002347  -0.009666
    15  H   -0.129969  -0.199450  -0.067973   0.122696  -0.009977   0.463468
    16  H    0.044242   0.100251  -0.244716   0.036434   0.008660   0.191995
    17  H    0.164137   0.028750   0.024854  -0.012867  -0.003379   0.111982
    18  H   -0.078171   0.373287  -0.205106   0.053599   0.004551  -0.079865
    19  H    0.426709  -0.187703  -0.034148   0.019971   0.025573  -0.085598
               7          8          9         10         11         12
     1  C    0.006732   0.022872   0.113381   0.015414  -0.003501  -0.017530
     2  C    0.049019   0.014206  -0.010202  -1.181829  -0.030208  -0.034673
     3  C   -0.447534   0.029960  -1.010507   0.090777  -0.164794  -0.123048
     4  C    0.260194   0.221469   0.078888   0.174689   0.020551   0.001039
     5  O   -0.080090  -0.085079   0.013552   0.001145   0.201331   0.010307
     6  C    0.020984  -0.015641   0.031647   0.052501   0.008295   0.022973
     7  N    6.829114  -0.026002  -0.053221  -0.030657   0.082324   0.265854
     8  O   -0.026002   8.347354   0.034950   0.002846   0.016505   0.001232
     9  H   -0.053221   0.034950   2.290399   0.010648   0.026846   0.054187
    10  H   -0.030657   0.002846   0.010648   2.506804   0.003959  -0.009757
    11  H    0.082324   0.016505   0.026846   0.003959   0.634544   0.000177
    12  H    0.265854   0.001232   0.054187  -0.009757   0.000177   0.951208
    13  H    0.316320   0.001634  -0.119803   0.015354  -0.015340  -0.142194
    14  H   -0.021142  -0.001000   0.020571  -0.064043  -0.001418  -0.002244
    15  H    0.023102  -0.022448  -0.025496   0.108077   0.001411  -0.001434
    16  H    0.027990   0.018952   0.036451  -0.098534   0.002163   0.007710
    17  H   -0.008217   0.004658   0.003569  -0.091217   0.002496   0.003730
    18  H    0.043115  -0.008283   0.014325  -0.038663  -0.002004  -0.002809
    19  H    0.004106   0.006688   0.015581   0.082524  -0.005378  -0.001706
              13         14         15         16         17         18
     1  C   -0.008109  -0.027506  -0.129969   0.044242   0.164137  -0.078171
     2  C   -0.022652   0.357524  -0.199450   0.100251   0.028750   0.373287
     3  C    0.244356   0.102363  -0.067973  -0.244716   0.024854  -0.205106
     4  C   -0.064804  -0.056506   0.122696   0.036434  -0.012867   0.053599
     5  O   -0.008352  -0.002347  -0.009977   0.008660  -0.003379   0.004551
     6  C   -0.010936  -0.009666   0.463468   0.191995   0.111982  -0.079865
     7  N    0.316320  -0.021142   0.023102   0.027990  -0.008217   0.043115
     8  O    0.001634  -0.001000  -0.022448   0.018952   0.004658  -0.008283
     9  H   -0.119803   0.020571  -0.025496   0.036451   0.003569   0.014325
    10  H    0.015354  -0.064043   0.108077  -0.098534  -0.091217  -0.038663
    11  H   -0.015340  -0.001418   0.001411   0.002163   0.002496  -0.002004
    12  H   -0.142194  -0.002244  -0.001434   0.007710   0.003730  -0.002809
    13  H    0.868549  -0.000756   0.001974  -0.004147  -0.001283  -0.003160
    14  H   -0.000756   1.599094  -0.360966  -0.367988  -0.012754   0.018062
    15  H    0.001974  -0.360966   1.459356  -0.251195  -0.013000  -0.003040
    16  H   -0.004147  -0.367988  -0.251195   1.669485   0.033072  -0.018939
    17  H   -0.001283  -0.012754  -0.013000   0.033072   1.836630  -0.503317
    18  H   -0.003160   0.018062  -0.003040  -0.018939  -0.503317   1.971491
    19  H    0.000412  -0.017051   0.014405  -0.003042  -0.353633  -0.263119
              19
     1  C    0.426709
     2  C   -0.187703
     3  C   -0.034148
     4  C    0.019971
     5  O    0.025573
     6  C   -0.085598
     7  N    0.004106
     8  O    0.006688
     9  H    0.015581
    10  H    0.082524
    11  H   -0.005378
    12  H   -0.001706
    13  H    0.000412
    14  H   -0.017051
    15  H    0.014405
    16  H   -0.003042
    17  H   -0.353633
    18  H   -0.263119
    19  H    1.442234
 Mulliken charges:
               1
     1  C    1.254886
     2  C   -0.636380
     3  C    0.829172
     4  C    0.823726
     5  O   -0.475197
     6  C    0.938111
     7  N   -0.261991
     8  O   -0.564875
     9  H   -0.525765
    10  H   -0.550037
    11  H    0.222041
    12  H    0.016977
    13  H   -0.047064
    14  H   -0.152227
    15  H   -0.109542
    16  H   -0.188844
    17  H   -0.214211
    18  H   -0.271955
    19  H   -0.086827
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.681893
     2  C   -1.186417
     3  C    0.303407
     4  C    0.823726
     5  O   -0.253156
     6  C    0.487499
     7  N   -0.292078
     8  O   -0.564875
 Electronic spatial extent (au):  <R**2>=            985.4548
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -1.9548    Y=             -4.4978    Z=             -1.8216  Tot=              5.2316
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -51.2452   YY=            -52.7647   ZZ=            -47.7150
   XY=             -4.5323   XZ=             -3.2424   YZ=              2.1823
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.6702   YY=             -2.1897   ZZ=              2.8600
   XY=             -4.5323   XZ=             -3.2424   YZ=              2.1823
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              4.0859  YYY=            -21.5029  ZZZ=             -5.8656  XYY=             -1.6822
  XXY=             -7.8928  XXZ=             -5.4235  XZZ=              5.3581  YZZ=             -3.4490
  YYZ=             -3.4042  XYZ=              1.1005
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -625.9213 YYYY=           -406.1096 ZZZZ=           -244.3540 XXXY=            -10.0047
 XXXZ=            -14.5202 YYYX=            -10.6442 YYYZ=             19.2679 ZZZX=             -2.8504
 ZZZY=              7.0404 XXYY=           -174.1088 XXZZ=           -142.4798 YYZZ=           -101.7842
 XXYZ=              1.3098 YYXZ=             -1.4621 ZZXY=             -7.4792
 N-N= 4.132481382607D+02 E-N=-1.765631908870D+03  KE= 3.998104156954D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Aug 13 11:24:46 2021, MaxMem=  5368709120 cpu:               2.7 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-7.42875624D-01-1.76742091D+00-7.18479099D-01
 Polarizability= 7.60944835D+01-2.69602986D+00 7.76509700D+01
                 1.43288919D+00-1.41107153D+00 6.81616490D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.9714   -0.9737       -1.3633   -1.3623
 2      0.9714    0.9737        0.6535    0.6529        1.1596    1.1615
 3      1.3633    1.3623        3.7512    3.7496       -0.6527   -0.6529
 4     -0.6535   -0.6529       -0.0000    0.0000        1.3650    1.3623
 5     -4.9108   -4.9111       -1.3650   -1.3623       -0.9728   -0.9737
 6      0.6527    0.6529        0.9728    0.9737        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        2.9211    2.9211       -4.0870   -4.0870
 2     -1.9588   -1.9588       -0.0000    0.0000       -4.0870   -4.0870
 3     -1.9588   -1.9588        2.9211    2.9211        0.0000    0.0000
 4      2.9211    2.9211        1.9588    1.9588        3.4845    3.4845
 5      4.0870    4.0870       11.2487   11.2487       -1.9588   -1.9588
 6    -14.7332  -14.7332       -4.0870   -4.0870       -2.9211   -2.9211
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0932    0.0000        4.7623    3.8948        4.1277    5.4494
 2     -3.9421   -3.8948       -2.3777   -2.6117       -4.7631   -4.6460
 3     -5.5552   -5.4494      -14.9019  -14.9982        2.3018    2.6117
 4      2.2639    2.6117        0.1850    0.0000       -5.1910   -5.4494
 5     19.5136   19.6442        5.6123    5.4494        3.9843    3.8948
 6     -2.6801   -2.6117       -3.8013   -3.8948        0.0108    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1532    0.0000       -3.0090   -2.6504      -11.8633  -12.7041
 2      2.1948    2.6504      -13.5756  -14.3633       -7.8697   -8.0424
 3     13.4018   12.7041        4.9303    2.8006       10.1948   14.3633
 4     13.9984   14.3633        0.2305    0.0000       12.3590   12.7041
 5      5.9092    5.2418      -13.2720  -12.7041       -2.6320   -2.6504
 6    -14.1197  -14.3633        2.7661    2.6504       -0.3861    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      8.7765    8.6713       -9.7975   -9.8414       27.7912   27.7872
 2     26.8746   27.2563      -15.4737  -15.4674       28.2413   27.7872
 3     26.7133   27.2563       -9.5876   -9.8414       36.5393   36.8935
 4      5.3141    5.6260      -18.0039  -18.5849       -7.5247   -7.0023
 5      9.9180    9.1062       11.1175    8.9284       13.9896   18.5849
 6     -1.1157   -1.9262       -9.0176   -9.1062       -6.4913   -5.6260
 Full mass-weighted force constant matrix:
 Low frequencies ---   -5.4651   -2.9788    0.0009    0.0011    0.0012   13.4907
 Low frequencies ---   65.1584  100.3754  185.6660
 Diagonal vibrational polarizability:
       18.3332205      12.2401217      17.5770428
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     65.1563               100.3671               185.6656
 Red. masses --      4.0782                 3.1778                 4.3754
 Frc consts  --      0.0102                 0.0189                 0.0889
 IR Inten    --      1.4837                 1.1040                 4.3311
 RamAct Fr= 1--      0.9100                 0.5911                 0.5649
  Dep-P Fr= 1--      0.7500                 0.7305                 0.6704
  Dep-U Fr= 1--      0.8571                 0.8443                 0.8027
 Alpha2 Fr= 1--      0.0000                 0.0002                 0.0008
 Beta2  Fr= 1--      0.1300                 0.0832                 0.0756
 AlphaG Fr= 1--      0.0000                -0.0005                 0.0014
 Gamma2 Fr= 1--     -0.3050                 0.2346                 0.1672
 Delta2 Fr= 1--     -0.2702                 0.1846                 0.0879
 Raman1 Fr= 1--       3.640                  2.364                  2.259
 ROA1   Fr= 1--     -37.931                 28.430                 18.866
 CID1   Fr= 1--     -10.420                 12.024                  8.350
 Raman2 Fr= 1--       1.560                  0.998                  0.907
 ROA2   Fr= 1--      -5.160                  4.154                  3.309
 CID2   Fr= 1--      -3.307                  4.162                  3.649
 Raman3 Fr= 1--       3.120                  1.996                  1.814
 ROA3   Fr= 1--     -37.931                 28.430                 18.866
 CID3   Fr= 1--     -12.157                 14.242                 10.402
 RC180  Fr= 1--       0.714                  0.689                  0.605
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.22   0.06    -0.14  -0.12  -0.08    -0.21  -0.08   0.01
     2   6    -0.00   0.00   0.01    -0.03   0.02  -0.05    -0.07  -0.03   0.03
     3   6     0.00   0.00   0.01     0.01  -0.04   0.05    -0.04   0.09   0.10
     4   6     0.01  -0.03   0.06     0.01   0.01  -0.00     0.10   0.05   0.03
     5   8     0.16  -0.08  -0.14     0.18   0.07  -0.15     0.15  -0.02  -0.07
     6   6    -0.07  -0.08  -0.18     0.08   0.10   0.04    -0.20  -0.13  -0.03
     7   7    -0.00  -0.01  -0.05     0.00  -0.05   0.15    -0.03   0.09   0.03
     8   8    -0.12  -0.02   0.25    -0.12   0.01   0.04     0.27   0.05  -0.06
     9   1     0.02   0.03   0.02     0.07  -0.12   0.02    -0.05   0.12   0.11
    10   1     0.05  -0.10   0.13    -0.05   0.11  -0.16     0.06  -0.07  -0.04
    11   1     0.17  -0.07  -0.23     0.20   0.06  -0.14     0.03  -0.01  -0.00
    12   1    -0.01  -0.00   0.10    -0.01  -0.04   0.44    -0.02   0.08  -0.12
    13   1    -0.13  -0.04  -0.14    -0.17  -0.20   0.05     0.05   0.17   0.08
    14   1    -0.05  -0.06  -0.13     0.02   0.08  -0.13    -0.19  -0.20  -0.00
    15   1    -0.09   0.02  -0.35     0.05   0.01   0.23    -0.28  -0.05  -0.09
    16   1    -0.13  -0.28  -0.22     0.24   0.27   0.06    -0.25  -0.20  -0.05
    17   1     0.04   0.18   0.08    -0.17  -0.03  -0.13    -0.23  -0.30  -0.13
    18   1     0.11   0.30   0.19    -0.26  -0.21  -0.13    -0.06   0.01   0.05
    19   1    -0.05   0.35  -0.07    -0.06  -0.24   0.02    -0.44  -0.02   0.11
                      4                      5                      6
                      A                      A                      A
 Frequencies --    229.7088               253.1510               260.3132
 Red. masses --      1.0680                 1.2691                 1.4055
 Frc consts  --      0.0332                 0.0479                 0.0561
 IR Inten    --      0.2579                 4.1690                 6.3164
 RamAct Fr= 1--      0.3430                 0.4773                 0.2760
  Dep-P Fr= 1--      0.4062                 0.2832                 0.4544
  Dep-U Fr= 1--      0.5777                 0.4414                 0.6249
 Alpha2 Fr= 1--      0.0025                 0.0051                 0.0017
 Beta2  Fr= 1--      0.0330                 0.0351                 0.0287
 AlphaG Fr= 1--      0.0040                -0.0102                -0.0026
 Gamma2 Fr= 1--      0.0255                -0.2000                -0.1780
 Delta2 Fr= 1--      0.0173                -0.0293                -0.0281
 Raman1 Fr= 1--       1.372                  1.909                  1.104
 ROA1   Fr= 1--       3.003                -20.141                -17.988
 CID1   Fr= 1--       2.189                -10.548                -16.291
 Raman2 Fr= 1--       0.396                  0.421                  0.345
 ROA2   Fr= 1--       0.474                 -4.566                 -4.047
 CID2   Fr= 1--       1.195                -10.834                -11.732
 Raman3 Fr= 1--       0.793                  0.843                  0.690
 ROA3   Fr= 1--       3.003                -20.141                -17.988
 CID3   Fr= 1--       3.790                -23.897                -26.070
 RC180  Fr= 1--       0.155                 -0.117                  0.250
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.04  -0.03     0.08   0.01  -0.05     0.09  -0.03  -0.05
     2   6    -0.00   0.01  -0.02     0.02   0.03  -0.04    -0.00   0.01  -0.04
     3   6     0.00  -0.00  -0.00     0.02   0.01  -0.03     0.00   0.03  -0.02
     4   6    -0.00   0.00   0.00     0.01   0.00  -0.00     0.01   0.03   0.01
     5   8    -0.01   0.01   0.00    -0.02  -0.02   0.02    -0.02  -0.02   0.01
     6   6     0.03   0.03   0.01    -0.06  -0.00   0.02    -0.08  -0.03  -0.02
     7   7    -0.01  -0.01   0.03    -0.04  -0.02   0.04    -0.03   0.01   0.06
     8   8    -0.01   0.01   0.01     0.02   0.01   0.01     0.05   0.03   0.03
     9   1     0.02  -0.02  -0.01     0.06  -0.03  -0.04     0.05  -0.01  -0.03
    10   1    -0.01   0.02  -0.03     0.03   0.02  -0.05     0.02  -0.00  -0.04
    11   1     0.01   0.01  -0.02    -0.01  -0.01  -0.05    -0.02  -0.01  -0.07
    12   1    -0.01  -0.00   0.13    -0.09   0.02   0.33    -0.06   0.03   0.40
    13   1    -0.07  -0.06  -0.01    -0.22  -0.19  -0.06    -0.24  -0.18  -0.07
    14   1     0.17   0.24   0.44    -0.12  -0.18  -0.18    -0.03  -0.05   0.13
    15   1     0.32   0.08  -0.39    -0.24  -0.04   0.27    -0.06   0.02  -0.14
    16   1    -0.39  -0.22  -0.02     0.12   0.18   0.05    -0.24  -0.12  -0.03
    17   1     0.01  -0.31  -0.08     0.12  -0.39  -0.07     0.10   0.35   0.10
    18   1     0.22   0.09  -0.03     0.43   0.22  -0.03    -0.24  -0.25  -0.16
    19   1    -0.23   0.06   0.02    -0.24   0.19  -0.04     0.48  -0.23  -0.09
                      7                      8                      9
                      A                      A                      A
 Frequencies --    282.6595               338.2040               352.9728
 Red. masses --      1.5344                 3.8020                 2.4962
 Frc consts  --      0.0722                 0.2562                 0.1832
 IR Inten    --     13.4650                12.7816                 1.3585
 RamAct Fr= 1--      0.1451                 0.5515                 1.0817
  Dep-P Fr= 1--      0.5816                 0.3118                 0.6010
  Dep-U Fr= 1--      0.7354                 0.4754                 0.7508
 Alpha2 Fr= 1--      0.0005                 0.0055                 0.0030
 Beta2  Fr= 1--      0.0178                 0.0437                 0.1354
 AlphaG Fr= 1--      0.0057                 0.0013                 0.0001
 Gamma2 Fr= 1--      0.1057                 0.1129                -0.2148
 Delta2 Fr= 1--      0.1380                 0.1828                 0.0127
 Raman1 Fr= 1--       0.580                  2.206                  4.327
 ROA1   Fr= 1--      14.562                 16.691                -20.212
 CID1   Fr= 1--      25.098                  7.567                 -4.672
 Raman2 Fr= 1--       0.213                  0.524                  1.624
 ROA2   Fr= 1--       1.433                  1.248                 -5.255
 CID2   Fr= 1--       6.714                  2.380                 -3.236
 Raman3 Fr= 1--       0.427                  1.049                  3.248
 ROA3   Fr= 1--      14.562                 16.691                -20.212
 CID3   Fr= 1--      34.125                 15.916                 -6.222
 RC180  Fr= 1--       0.471                 -0.049                  0.502
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09   0.01   0.06    -0.04   0.05   0.00    -0.08   0.14  -0.08
     2   6     0.01  -0.03   0.04    -0.03  -0.04  -0.02     0.01   0.03  -0.09
     3   6     0.01  -0.01   0.02    -0.04   0.01  -0.05     0.08  -0.03  -0.04
     4   6     0.01   0.01   0.00    -0.05   0.03  -0.07     0.04  -0.06   0.00
     5   8    -0.04   0.01   0.04    -0.16  -0.19  -0.15     0.06   0.02   0.06
     6   6     0.04  -0.01   0.00     0.02   0.01   0.06    -0.14   0.01   0.17
     7   7     0.08   0.02  -0.12     0.22   0.11   0.16     0.09  -0.04  -0.03
     8   8     0.02   0.01  -0.03     0.05   0.05   0.05    -0.04  -0.07  -0.03
     9   1    -0.05   0.02   0.04    -0.07  -0.15  -0.10     0.15  -0.02  -0.04
    10   1     0.02  -0.03   0.04    -0.06  -0.04   0.01     0.02   0.04  -0.11
    11   1     0.11   0.01  -0.17    -0.32  -0.17  -0.37     0.12   0.01   0.09
    12   1     0.10  -0.02   0.57     0.40  -0.06   0.25     0.11  -0.06  -0.05
    13   1    -0.45  -0.16  -0.51     0.30   0.15   0.21     0.10  -0.02  -0.02
    14   1     0.03   0.02  -0.03     0.03   0.03   0.08    -0.02  -0.18   0.43
    15   1     0.05  -0.02   0.01     0.08  -0.06   0.13    -0.12  -0.02   0.20
    16   1     0.09  -0.02  -0.00     0.01   0.11   0.08    -0.45   0.17   0.22
    17   1    -0.13   0.04  -0.03    -0.05   0.07  -0.02    -0.12   0.29  -0.14
    18   1    -0.13   0.01   0.14    -0.03   0.09   0.11    -0.18   0.12   0.08
    19   1    -0.12   0.02   0.07    -0.08   0.12  -0.06    -0.05   0.17  -0.16
                     10                     11                     12
                      A                      A                      A
 Frequencies --    431.8771               468.6452               542.9599
 Red. masses --      3.2835                 2.8717                 4.8056
 Frc consts  --      0.3608                 0.3716                 0.8347
 IR Inten    --      0.8990                 1.7200                 3.0389
 RamAct Fr= 1--      1.0951                 0.4330                 5.5851
  Dep-P Fr= 1--      0.7373                 0.7348                 0.0637
  Dep-U Fr= 1--      0.8488                 0.8471                 0.1197
 Alpha2 Fr= 1--      0.0002                 0.0001                 0.1068
 Beta2  Fr= 1--      0.1549                 0.0611                 0.1114
 AlphaG Fr= 1--      0.0003                 0.0001                -0.0045
 Gamma2 Fr= 1--      0.1373                -0.0827                 0.6687
 Delta2 Fr= 1--     -0.2866                 0.0257                 0.1990
 Raman1 Fr= 1--       4.381                  1.732                 22.340
 ROA1   Fr= 1--       4.013                 -7.113                 70.559
 CID1   Fr= 1--       0.916                 -4.106                  3.158
 Raman2 Fr= 1--       1.859                  0.734                  1.337
 ROA2   Fr= 1--       5.589                 -2.190                 14.456
 CID2   Fr= 1--       3.006                 -2.985                 10.810
 Raman3 Fr= 1--       3.718                  1.467                  2.674
 ROA3   Fr= 1--       4.013                 -7.113                 70.559
 CID3   Fr= 1--       1.079                 -4.847                 26.382
 RC180  Fr= 1--       0.698                  0.694                 -0.761
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09  -0.05  -0.01    -0.05  -0.06   0.09     0.01   0.03  -0.07
     2   6    -0.13   0.10   0.03     0.18   0.19   0.11     0.09  -0.06  -0.05
     3   6    -0.07  -0.01   0.11     0.13   0.06  -0.05     0.02   0.19   0.09
     4   6    -0.03  -0.10   0.08     0.08  -0.02  -0.10    -0.02  -0.06   0.13
     5   8     0.06  -0.04   0.04    -0.05  -0.08  -0.01     0.06  -0.14   0.01
     6   6    -0.12   0.15  -0.09    -0.07   0.03  -0.03     0.13  -0.13   0.03
     7   7     0.17   0.08  -0.00     0.01   0.00   0.02    -0.12   0.26   0.06
     8   8    -0.04  -0.13  -0.10    -0.11  -0.03  -0.02    -0.15  -0.10  -0.18
     9   1    -0.00   0.04   0.12     0.04  -0.01  -0.07     0.11   0.37   0.14
    10   1    -0.16   0.13   0.02     0.21   0.17   0.10     0.22  -0.10  -0.13
    11   1     0.14  -0.04  -0.03    -0.10  -0.07  -0.09    -0.11  -0.12  -0.09
    12   1     0.34  -0.09   0.12    -0.07   0.07  -0.02    -0.16   0.30   0.19
    13   1     0.02   0.26  -0.16     0.06  -0.09   0.08    -0.14   0.13   0.08
    14   1    -0.16   0.17  -0.17    -0.05  -0.21  -0.05     0.15  -0.08   0.09
    15   1    -0.17   0.20  -0.13    -0.33   0.25  -0.17     0.21  -0.19   0.06
    16   1    -0.04   0.05  -0.11    -0.13  -0.19  -0.07     0.10  -0.05   0.05
    17   1     0.19  -0.21   0.22    -0.15  -0.13  -0.20    -0.02   0.15  -0.13
    18   1     0.23  -0.04  -0.29    -0.16  -0.16  -0.03    -0.05   0.04   0.12
    19   1     0.17  -0.11   0.02    -0.15  -0.24   0.43    -0.00   0.10  -0.15
                     13                     14                     15
                      A                      A                      A
 Frequencies --    657.7769               742.1711               804.2921
 Red. masses --      4.7487                 4.4488                 2.4578
 Frc consts  --      1.2105                 1.4438                 0.9367
 IR Inten    --      8.8674                10.0187                30.6583
 RamAct Fr= 1--      1.5280                 8.9185                 6.6386
  Dep-P Fr= 1--      0.7299                 0.0430                 0.0628
  Dep-U Fr= 1--      0.8439                 0.0825                 0.1182
 Alpha2 Fr= 1--      0.0005                 0.1791                 0.1272
 Beta2  Fr= 1--      0.2149                 0.1226                 0.1307
 AlphaG Fr= 1--     -0.0005                -0.0294                -0.0887
 Gamma2 Fr= 1--     -1.0315                -1.5554                 0.1188
 Delta2 Fr= 1--      0.0245                -0.1117                -0.0400
 Raman1 Fr= 1--       6.112                 35.674                 26.554
 ROA1   Fr= 1--     -98.240               -152.889                 10.123
 CID1   Fr= 1--     -16.073                 -4.286                  0.381
 Raman2 Fr= 1--       2.579                  1.471                  1.569
 ROA2   Fr= 1--     -24.953                -36.436                  3.171
 CID2   Fr= 1--      -9.676                -24.773                  2.021
 Raman3 Fr= 1--       5.158                  2.942                  3.138
 ROA3   Fr= 1--     -98.240               -152.889                 10.123
 CID3   Fr= 1--     -19.047                -51.975                  3.226
 RC180  Fr= 1--       0.688                 -0.835                 -0.764
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.02  -0.06    -0.04  -0.04   0.08     0.01  -0.04   0.14
     2   6     0.07   0.04  -0.02    -0.19  -0.11  -0.02    -0.00  -0.04  -0.06
     3   6     0.09  -0.03   0.27     0.09   0.04  -0.03     0.06  -0.00  -0.17
     4   6    -0.10   0.16   0.22     0.30   0.13  -0.10    -0.13   0.02   0.18
     5   8    -0.04  -0.12  -0.09     0.06  -0.15   0.13     0.06  -0.01  -0.03
     6   6    -0.01   0.02   0.00    -0.07   0.04  -0.02    -0.05   0.07  -0.03
     7   7     0.04  -0.23  -0.05    -0.00  -0.04  -0.01    -0.02   0.00  -0.07
     8   8    -0.03   0.17  -0.12    -0.15   0.13  -0.05     0.02   0.02  -0.05
     9   1     0.27   0.03   0.28     0.02  -0.03  -0.05     0.28   0.16  -0.13
    10   1     0.07   0.07  -0.07    -0.07  -0.14  -0.09    -0.08  -0.04   0.04
    11   1    -0.26  -0.09  -0.31    -0.17  -0.10  -0.19    -0.28  -0.01   0.21
    12   1    -0.14  -0.06  -0.43    -0.08   0.04  -0.07     0.09  -0.09   0.36
    13   1    -0.13   0.03  -0.25     0.08  -0.14   0.07     0.34  -0.36   0.31
    14   1     0.03  -0.14   0.07    -0.12   0.41  -0.05    -0.04   0.10  -0.02
    15   1    -0.11   0.08  -0.01     0.23  -0.15   0.03    -0.01   0.03   0.01
    16   1    -0.11   0.01   0.01     0.07   0.15  -0.01    -0.05   0.13  -0.01
    17   1     0.03   0.02  -0.04     0.08  -0.02   0.42    -0.03  -0.00   0.06
    18   1     0.03   0.02  -0.09     0.11   0.05   0.09    -0.04  -0.05   0.26
    19   1     0.04   0.01  -0.05     0.10   0.08  -0.21    -0.05  -0.02   0.16
                     16                     17                     18
                      A                      A                      A
 Frequencies --    844.1253               867.5843               920.4063
 Red. masses --      2.0377                 1.1752                 1.8060
 Frc consts  --      0.8555                 0.5212                 0.9014
 IR Inten    --     15.7014                73.4120                74.4035
 RamAct Fr= 1--      2.1624                 1.1085                 0.8814
  Dep-P Fr= 1--      0.7344                 0.1224                 0.2082
  Dep-U Fr= 1--      0.8468                 0.2181                 0.3447
 Alpha2 Fr= 1--      0.0006                 0.0184                 0.0117
 Beta2  Fr= 1--      0.3052                 0.0403                 0.0506
 AlphaG Fr= 1--      0.0002                 0.0761                -0.0227
 Gamma2 Fr= 1--      0.5299                 0.0618                -0.2383
 Delta2 Fr= 1--      0.1187                 0.0896                 0.0054
 Raman1 Fr= 1--       8.650                  4.434                  3.525
 ROA1   Fr= 1--      54.673                  8.802                -22.699
 CID1   Fr= 1--       6.321                  1.985                 -6.439
 Raman2 Fr= 1--       3.662                  0.483                  0.608
 ROA2   Fr= 1--      11.769                  0.766                 -5.762
 CID2   Fr= 1--       3.213                  1.585                 -9.483
 Raman3 Fr= 1--       7.325                  0.967                  1.215
 ROA3   Fr= 1--      54.673                  8.802                -22.699
 CID3   Fr= 1--       7.464                  9.104                -18.680
 RC180  Fr= 1--       0.694                 -0.564                 -0.311
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.05   0.10    -0.01   0.00  -0.02    -0.02  -0.05   0.01
     2   6    -0.03  -0.05  -0.05    -0.01   0.00   0.01     0.03  -0.03  -0.01
     3   6     0.13   0.10   0.01     0.03   0.00   0.06     0.07  -0.03   0.15
     4   6    -0.05  -0.07  -0.02     0.03  -0.01  -0.05     0.04  -0.03  -0.05
     5   8    -0.07   0.05  -0.07     0.00   0.01  -0.05    -0.08   0.04  -0.04
     6   6    -0.05   0.04  -0.03    -0.00  -0.00   0.00    -0.01   0.06  -0.01
     7   7     0.06  -0.01   0.07     0.03   0.01  -0.03    -0.08   0.03  -0.08
     8   8     0.03  -0.07   0.02    -0.01  -0.01   0.02     0.01  -0.03   0.02
     9   1     0.25   0.10   0.01    -0.02   0.03   0.08    -0.01   0.10   0.19
    10   1     0.13  -0.09  -0.14     0.04   0.01  -0.04     0.13   0.09  -0.28
    11   1     0.18   0.03  -0.02    -0.64  -0.01   0.72     0.14   0.04  -0.23
    12   1    -0.37   0.38  -0.36    -0.00   0.03   0.13     0.20  -0.21   0.31
    13   1    -0.31  -0.03  -0.25    -0.09  -0.03  -0.11     0.37  -0.06   0.34
    14   1    -0.05   0.20   0.01    -0.01   0.01  -0.01     0.00  -0.07   0.00
    15   1     0.12  -0.09   0.04     0.00   0.00  -0.01    -0.11   0.13  -0.04
    16   1    -0.03   0.19  -0.00     0.01  -0.02  -0.00    -0.08   0.01  -0.02
    17   1     0.02   0.03   0.21     0.03  -0.01   0.06     0.05   0.09   0.22
    18   1     0.03   0.00   0.22     0.02   0.01  -0.03     0.09   0.06   0.23
    19   1     0.03   0.05  -0.06     0.02   0.02  -0.07     0.05   0.13  -0.30
                     19                     20                     21
                      A                      A                      A
 Frequencies --    940.1008               951.7660               976.8342
 Red. masses --      1.5866                 1.5169                 1.4812
 Frc consts  --      0.8262                 0.8096                 0.8327
 IR Inten    --     28.3909                 0.8385                 2.2908
 RamAct Fr= 1--      3.1717                 1.9453                 2.6884
  Dep-P Fr= 1--      0.5302                 0.6762                 0.7252
  Dep-U Fr= 1--      0.6930                 0.8068                 0.8407
 Alpha2 Fr= 1--      0.0135                 0.0025                 0.0011
 Beta2  Fr= 1--      0.3663                 0.2616                 0.3767
 AlphaG Fr= 1--     -0.0091                 0.0080                 0.0018
 Gamma2 Fr= 1--     -1.7287                 0.6776                 0.5246
 Delta2 Fr= 1--     -1.1563                 0.3526                 0.5369
 Raman1 Fr= 1--      12.687                  7.781                 10.754
 ROA1   Fr= 1--    -202.955                 76.332                 67.544
 CID1   Fr= 1--     -15.997                  9.810                  6.281
 Raman2 Fr= 1--       4.396                  3.139                  4.520
 ROA2   Fr= 1--     -32.239                 13.442                  8.295
 CID2   Fr= 1--      -7.334                  4.282                  1.835
 Raman3 Fr= 1--       8.792                  6.278                  9.041
 ROA3   Fr= 1--    -202.955                 76.332                 67.544
 CID3   Fr= 1--     -23.084                 12.158                  7.471
 RC180  Fr= 1--       0.386                  0.614                  0.681
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.09   0.03     0.02   0.02   0.09    -0.09  -0.00   0.07
     2   6     0.08  -0.05  -0.05     0.06  -0.01  -0.09    -0.05   0.07  -0.05
     3   6    -0.10  -0.04  -0.02    -0.05  -0.05   0.06     0.00  -0.01  -0.04
     4   6     0.01   0.02  -0.01     0.03   0.01  -0.03    -0.02   0.00   0.01
     5   8     0.04  -0.03   0.04     0.00  -0.01   0.01     0.01  -0.01   0.01
     6   6     0.00   0.09  -0.01    -0.01   0.02  -0.11     0.12  -0.05  -0.01
     7   7     0.00   0.02   0.04    -0.03   0.03  -0.00     0.01   0.01   0.01
     8   8    -0.01   0.03  -0.00    -0.01   0.01   0.01     0.00   0.01  -0.00
     9   1    -0.13  -0.15  -0.06    -0.05  -0.10   0.04     0.03  -0.02  -0.05
    10   1    -0.08   0.14  -0.21     0.16  -0.19   0.10    -0.18   0.24  -0.20
    11   1    -0.07  -0.02   0.10    -0.04  -0.00   0.03    -0.00  -0.01   0.02
    12   1    -0.02   0.03  -0.14     0.09  -0.09   0.02    -0.05   0.07  -0.05
    13   1    -0.22   0.22  -0.19    -0.06   0.19  -0.05    -0.04  -0.01  -0.04
    14   1     0.01  -0.17  -0.04     0.14  -0.12   0.25     0.19  -0.51   0.10
    15   1    -0.24   0.27  -0.09     0.10  -0.23   0.24    -0.20   0.09   0.04
    16   1    -0.10  -0.07  -0.03    -0.32   0.58   0.02    -0.17  -0.07   0.00
    17   1    -0.04   0.20  -0.11    -0.01  -0.11  -0.03     0.10  -0.12   0.54
    18   1    -0.03   0.00   0.58    -0.04  -0.06  -0.10     0.16   0.08  -0.19
    19   1    -0.10   0.18  -0.22     0.01  -0.14   0.32     0.16  -0.01  -0.11
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1079.1748              1094.5876              1127.2108
 Red. masses --      3.3100                 1.6390                 1.5110
 Frc consts  --      2.2713                 1.1570                 1.1312
 IR Inten    --      8.9736                11.4462                 1.7731
 RamAct Fr= 1--      2.3976                 5.3227                 0.7487
  Dep-P Fr= 1--      0.2992                 0.6505                 0.7475
  Dep-U Fr= 1--      0.4606                 0.7883                 0.8555
 Alpha2 Fr= 1--      0.0246                 0.0095                 0.0000
 Beta2  Fr= 1--      0.1841                 0.6993                 0.1068
 AlphaG Fr= 1--     -0.0014                -0.0096                 0.0004
 Gamma2 Fr= 1--     -0.8917                -1.2550                 0.8080
 Delta2 Fr= 1--     -0.1570                -1.7862                 0.6424
 Raman1 Fr= 1--       9.590                 21.291                  2.995
 ROA1   Fr= 1--     -90.625               -177.637                 98.122
 CID1   Fr= 1--      -9.450                 -8.343                 32.763
 Raman2 Fr= 1--       2.209                  8.392                  1.281
 ROA2   Fr= 1--     -20.144                -15.831                 14.251
 CID2   Fr= 1--      -9.120                 -1.887                 11.124
 Raman3 Fr= 1--       4.418                 16.783                  2.562
 ROA3   Fr= 1--     -90.625               -177.637                 98.122
 CID3   Fr= 1--     -20.514                -10.584                 38.295
 RC180  Fr= 1--      -0.079                  0.577                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.04   0.06     0.05   0.01   0.07    -0.07  -0.02   0.01
     2   6     0.01   0.11  -0.08    -0.08   0.07  -0.11     0.09   0.09  -0.01
     3   6    -0.20   0.28  -0.01     0.03  -0.06   0.03     0.02  -0.06  -0.04
     4   6     0.05  -0.02  -0.00     0.08  -0.00   0.01    -0.07   0.01   0.01
     5   8    -0.01   0.03   0.00    -0.04   0.02  -0.03     0.03  -0.02   0.01
     6   6     0.02  -0.08  -0.01     0.01  -0.06   0.06    -0.07  -0.05   0.03
     7   7     0.05  -0.21   0.01    -0.05   0.03  -0.00    -0.03   0.02   0.01
     8   8    -0.01  -0.04   0.00    -0.00  -0.01   0.01     0.01   0.02  -0.01
     9   1    -0.11   0.40   0.03     0.61  -0.08  -0.04    -0.07  -0.29  -0.11
    10   1     0.24   0.12  -0.31    -0.26   0.14  -0.05     0.43   0.03  -0.25
    11   1    -0.07   0.02  -0.01    -0.09   0.02  -0.06     0.04  -0.02   0.08
    12   1     0.29  -0.44   0.10     0.18  -0.18  -0.01     0.15  -0.15   0.00
    13   1     0.13  -0.05   0.03    -0.10   0.36  -0.10    -0.09   0.28  -0.09
    14   1     0.03   0.05   0.03    -0.06   0.05  -0.10    -0.12   0.36  -0.04
    15   1     0.17  -0.18   0.03     0.07  -0.03  -0.08     0.23  -0.17  -0.05
    16   1     0.08   0.03   0.01     0.17  -0.25   0.01     0.22  -0.02   0.02
    17   1    -0.02   0.09  -0.01    -0.04   0.01  -0.18     0.05   0.00   0.32
    18   1    -0.01  -0.01   0.24    -0.10  -0.07   0.13     0.13   0.08  -0.04
    19   1    -0.04   0.05   0.00    -0.09  -0.03   0.24     0.11   0.02  -0.17
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1190.8111              1210.6104              1250.3467
 Red. masses --      2.3767                 1.9921                 1.5617
 Frc consts  --      1.9857                 1.7202                 1.4385
 IR Inten    --     26.6574                 2.2117                 3.8816
 RamAct Fr= 1--      5.1626                 3.8125                 2.8693
  Dep-P Fr= 1--      0.6061                 0.4005                 0.5432
  Dep-U Fr= 1--      0.7548                 0.5719                 0.7040
 Alpha2 Fr= 1--      0.0137                 0.0282                 0.0114
 Beta2  Fr= 1--      0.6494                 0.3634                 0.3367
 AlphaG Fr= 1--     -0.0107                 0.0062                 0.0125
 Gamma2 Fr= 1--      1.8528                -0.0368                -1.5507
 Delta2 Fr= 1--      1.9293                 0.1586                -0.8245
 Raman1 Fr= 1--      20.650                 15.250                 11.477
 ROA1   Fr= 1--     239.603                  1.542               -175.256
 CID1   Fr= 1--      11.603                  0.101                -15.270
 Raman2 Fr= 1--       7.793                  4.361                  4.040
 ROA2   Fr= 1--      29.032                 -2.152                -30.621
 CID2   Fr= 1--       3.725                 -0.494                 -7.579
 Raman3 Fr= 1--      15.586                  8.721                  8.080
 ROA3   Fr= 1--     239.603                  1.542               -175.256
 CID3   Fr= 1--      15.373                  0.177                -21.689
 RC180  Fr= 1--       0.510                  0.144                  0.408
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08   0.02  -0.03     0.02  -0.11  -0.06    -0.02  -0.03  -0.03
     2   6     0.09  -0.10   0.05    -0.05   0.15   0.14    -0.03  -0.03   0.08
     3   6    -0.04   0.02  -0.10     0.03  -0.04  -0.04     0.04   0.08  -0.01
     4   6     0.16   0.00   0.15     0.04   0.00   0.07    -0.10  -0.01  -0.10
     5   8    -0.06   0.08  -0.06    -0.02   0.03  -0.02     0.03  -0.05   0.02
     6   6    -0.00   0.07   0.01     0.00  -0.08  -0.10     0.04   0.03  -0.02
     7   7    -0.04  -0.02   0.04     0.00   0.02  -0.00    -0.04  -0.03   0.02
     8   8    -0.01  -0.07  -0.00     0.00  -0.02  -0.00     0.00   0.04   0.00
     9   1     0.17   0.06  -0.10     0.06  -0.09  -0.05     0.54   0.14  -0.04
    10   1     0.09  -0.24   0.27    -0.20   0.17   0.25     0.09  -0.23   0.28
    11   1    -0.37   0.09  -0.26    -0.15   0.03  -0.11     0.25  -0.07   0.24
    12   1     0.19  -0.24  -0.08    -0.02   0.03  -0.03     0.27  -0.32   0.07
    13   1    -0.18   0.30  -0.15    -0.01   0.02  -0.02    -0.09   0.31  -0.08
    14   1    -0.02  -0.02  -0.04     0.12  -0.02   0.23     0.07  -0.12   0.04
    15   1    -0.12   0.17  -0.05     0.14  -0.32   0.21    -0.12   0.08   0.06
    16   1    -0.04  -0.01  -0.00    -0.10   0.33  -0.01    -0.12   0.03  -0.01
    17   1     0.04  -0.10   0.27    -0.02   0.25  -0.05    -0.01   0.04   0.01
    18   1     0.09   0.07  -0.23     0.04   0.02   0.36     0.03   0.02   0.01
    19   1     0.13  -0.03  -0.14    -0.12   0.19  -0.36     0.00   0.05  -0.16
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1304.1075              1344.0115              1372.9483
 Red. masses --      1.6053                 1.2774                 1.4136
 Frc consts  --      1.6086                 1.3596                 1.5699
 IR Inten    --      7.6546                12.1445                 8.7819
 RamAct Fr= 1--      2.9923                 3.6378                 2.9257
  Dep-P Fr= 1--      0.6121                 0.4735                 0.4932
  Dep-U Fr= 1--      0.7594                 0.6427                 0.6606
 Alpha2 Fr= 1--      0.0076                 0.0202                 0.0149
 Beta2  Fr= 1--      0.3787                 0.3896                 0.3221
 AlphaG Fr= 1--     -0.0206                -0.0437                -0.0093
 Gamma2 Fr= 1--      0.4983                -0.3777                 1.8901
 Delta2 Fr= 1--      0.9175                -0.0405                -0.4451
 Raman1 Fr= 1--      11.969                 14.551                 11.703
 ROA1   Fr= 1--      77.193                -37.554                167.209
 CID1   Fr= 1--       6.449                 -2.581                 14.288
 Raman2 Fr= 1--       4.545                  4.676                  3.865
 ROA2   Fr= 1--       4.618                 -8.741                 48.924
 CID2   Fr= 1--       1.016                 -1.869                 12.658
 Raman3 Fr= 1--       9.089                  9.351                  7.730
 ROA3   Fr= 1--      77.193                -37.554                167.209
 CID3   Fr= 1--       8.493                 -4.016                 21.630
 RC180  Fr= 1--       0.519                  0.285                  0.321
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.02  -0.00     0.02   0.03  -0.00    -0.01   0.04   0.01
     2   6     0.13   0.03  -0.04     0.01  -0.05   0.05     0.06  -0.09   0.10
     3   6    -0.12  -0.09   0.02     0.08  -0.05  -0.06    -0.06   0.06   0.02
     4   6     0.01  -0.00  -0.06    -0.00  -0.00   0.01    -0.02   0.00  -0.02
     5   8    -0.00  -0.01   0.01    -0.01  -0.01  -0.01     0.02   0.01   0.02
     6   6    -0.05  -0.02   0.01    -0.02  -0.02  -0.03    -0.03  -0.02  -0.04
     7   7     0.04   0.02   0.00    -0.03  -0.01   0.05     0.00   0.00  -0.03
     8   8    -0.01   0.03   0.01    -0.00   0.02  -0.00     0.00  -0.02   0.01
     9   1     0.43   0.56   0.19    -0.30   0.58   0.19     0.46  -0.38  -0.17
    10   1    -0.27   0.05   0.31    -0.26   0.36  -0.32    -0.24   0.44  -0.42
    11   1     0.08  -0.02   0.04     0.09  -0.02   0.09    -0.10   0.02  -0.08
    12   1    -0.14   0.18  -0.02     0.15  -0.18  -0.00    -0.04   0.05   0.02
    13   1     0.04  -0.21   0.05    -0.13   0.23  -0.09     0.06  -0.06   0.03
    14   1    -0.05   0.13   0.00    -0.01   0.12   0.03     0.02   0.14   0.11
    15   1     0.11  -0.06  -0.06    -0.00  -0.06   0.03    -0.04  -0.06   0.05
    16   1     0.13   0.03   0.01    -0.04   0.12   0.00    -0.00   0.15  -0.01
    17   1     0.00   0.00   0.15     0.01  -0.07  -0.05    -0.03  -0.09  -0.13
    18   1     0.12   0.08  -0.01    -0.06  -0.02  -0.04     0.01   0.01  -0.19
    19   1     0.10  -0.01  -0.14     0.01  -0.03   0.09     0.11  -0.01  -0.02
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1381.2699              1411.7578              1413.6579
 Red. masses --      1.3360                 1.4691                 1.3259
 Frc consts  --      1.5019                 1.7252                 1.5611
 IR Inten    --     54.1259               185.1708               124.5755
 RamAct Fr= 1--      3.8328                 2.2511                 2.3082
  Dep-P Fr= 1--      0.6537                 0.2014                 0.1030
  Dep-U Fr= 1--      0.7906                 0.3353                 0.1868
 Alpha2 Fr= 1--      0.0066                 0.0305                 0.0401
 Beta2  Fr= 1--      0.5050                 0.1258                 0.0719
 AlphaG Fr= 1--     -0.0092                 0.0273                 0.0212
 Gamma2 Fr= 1--      1.1372                -0.6675                -0.5427
 Delta2 Fr= 1--     -0.0170                -0.5878                -0.3676
 Raman1 Fr= 1--      15.331                  9.004                  9.233
 ROA1   Fr= 1--     108.623                -82.893                -63.865
 CID1   Fr= 1--       7.085                 -9.206                 -6.917
 Raman2 Fr= 1--       6.061                  1.509                  0.862
 ROA2   Fr= 1--      27.428                -11.319                -10.085
 CID2   Fr= 1--       4.526                 -7.499                -11.695
 Raman3 Fr= 1--      12.121                  3.019                  1.725
 ROA3   Fr= 1--     108.623                -82.893                -63.865
 CID3   Fr= 1--       8.962                -27.458                -37.031
 RC180  Fr= 1--       0.581                 -0.329                 -0.626
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.01   0.01     0.01  -0.01   0.07    -0.01  -0.03   0.07
     2   6    -0.07   0.02   0.07    -0.02   0.01   0.02     0.00   0.02  -0.04
     3   6    -0.05  -0.10  -0.03    -0.05  -0.03  -0.02     0.04   0.01   0.02
     4   6    -0.01  -0.00  -0.03     0.09  -0.01   0.08    -0.05   0.01  -0.04
     5   8     0.02   0.02   0.02    -0.06  -0.02  -0.06     0.04   0.01   0.03
     6   6     0.02   0.02  -0.01     0.03  -0.03   0.01     0.05  -0.08   0.03
     7   7     0.02   0.02   0.01     0.01   0.02  -0.00    -0.01  -0.01   0.00
     8   8     0.01  -0.00   0.01    -0.02   0.04  -0.02     0.01  -0.03   0.01
     9   1     0.28   0.34   0.09     0.07  -0.05  -0.04    -0.12   0.05   0.05
    10   1     0.60  -0.12  -0.39     0.20  -0.04  -0.13    -0.10  -0.05   0.17
    11   1    -0.29   0.06  -0.26     0.51  -0.11   0.46    -0.31   0.07  -0.27
    12   1    -0.06   0.08  -0.07    -0.01   0.03  -0.01     0.01  -0.02   0.01
    13   1    -0.03  -0.10  -0.01     0.01  -0.12   0.02    -0.01   0.06  -0.01
    14   1     0.04  -0.09   0.03    -0.02   0.13  -0.06    -0.07   0.36  -0.17
    15   1    -0.04   0.00   0.09    -0.14   0.11  -0.05    -0.28   0.23  -0.17
    16   1    -0.05  -0.09  -0.02    -0.12   0.12   0.04    -0.20   0.29   0.10
    17   1    -0.02   0.01  -0.12    -0.12   0.08  -0.27    -0.13   0.08  -0.26
    18   1    -0.05  -0.05  -0.08     0.04  -0.08  -0.33     0.11  -0.03  -0.26
    19   1    -0.04   0.06  -0.01     0.00   0.20  -0.24     0.07   0.15  -0.27
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1434.4863              1490.7957              1494.9096
 Red. masses --      1.2343                 1.0395                 1.0530
 Frc consts  --      1.4965                 1.3611                 1.3865
 IR Inten    --     11.8249                 0.3869                 3.5180
 RamAct Fr= 1--      1.1016                 8.0317                 1.1638
  Dep-P Fr= 1--      0.7464                 0.7460                 0.3577
  Dep-U Fr= 1--      0.8548                 0.8545                 0.5269
 Alpha2 Fr= 1--      0.0001                 0.0006                 0.0100
 Beta2  Fr= 1--      0.1569                 1.1438                 0.1022
 AlphaG Fr= 1--     -0.0008                 0.0015                -0.0229
 Gamma2 Fr= 1--      0.3607                 1.1717                -0.8700
 Delta2 Fr= 1--      0.0918                 0.5780                -0.2896
 Raman1 Fr= 1--       4.406                 32.127                  4.655
 ROA1   Fr= 1--      37.569                130.976                -92.785
 CID1   Fr= 1--       8.526                  4.077                -19.932
 Raman2 Fr= 1--       1.883                 13.726                  1.226
 ROA2   Fr= 1--       7.923                 23.496                -18.563
 CID2   Fr= 1--       4.207                  1.712                -15.137
 Raman3 Fr= 1--       3.766                 27.452                  2.453
 ROA3   Fr= 1--      37.569                130.976                -92.785
 CID3   Fr= 1--       9.975                  4.771                -37.830
 RC180  Fr= 1--       0.710                  0.709                  0.054
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.09     0.03   0.02   0.01    -0.03   0.01   0.01
     2   6    -0.01   0.01   0.02    -0.00   0.00  -0.01    -0.01   0.01  -0.03
     3   6    -0.03  -0.01  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6     0.02   0.00   0.01    -0.00  -0.00  -0.00     0.01   0.01   0.01
     5   8    -0.01  -0.00  -0.01     0.00   0.00   0.00    -0.00   0.00  -0.00
     6   6     0.06  -0.08   0.01    -0.03  -0.02  -0.01     0.01   0.00  -0.04
     7   7     0.01   0.01  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     8   8    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     9   1     0.12  -0.02  -0.01    -0.01   0.01   0.00    -0.06   0.01   0.01
    10   1     0.11  -0.02  -0.07     0.02  -0.05   0.05     0.03  -0.06   0.05
    11   1     0.08  -0.01   0.06    -0.00   0.00  -0.02     0.02  -0.00   0.02
    12   1    -0.03   0.04  -0.01     0.00  -0.01  -0.00    -0.01   0.01   0.00
    13   1     0.02  -0.06   0.02    -0.00  -0.00  -0.00     0.00   0.01   0.00
    14   1    -0.04   0.39  -0.10     0.15  -0.04   0.42     0.12   0.33   0.35
    15   1    -0.35   0.22  -0.10    -0.16   0.20  -0.24    -0.38  -0.01   0.39
    16   1    -0.22   0.28   0.09     0.49   0.20   0.01     0.13  -0.31  -0.09
    17   1     0.16  -0.05   0.35     0.09  -0.27   0.12    -0.07  -0.20  -0.21
    18   1    -0.11   0.05   0.36    -0.38  -0.23  -0.04     0.09   0.12   0.20
    19   1    -0.12  -0.20   0.33    -0.13   0.22  -0.17     0.37  -0.15  -0.07
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1507.6131              1513.9948              1656.1238
 Red. masses --      1.0446                 1.0564                 1.0912
 Frc consts  --      1.3988                 1.4266                 1.7634
 IR Inten    --      9.4583                12.4635                47.2885
 RamAct Fr= 1--      6.0655                 1.0221                 2.7777
  Dep-P Fr= 1--      0.6906                 0.7347                 0.6122
  Dep-U Fr= 1--      0.8170                 0.8470                 0.7595
 Alpha2 Fr= 1--      0.0063                 0.0003                 0.0070
 Beta2  Fr= 1--      0.8259                 0.1443                 0.3516
 AlphaG Fr= 1--      0.0004                 0.0002                -0.0180
 Gamma2 Fr= 1--      1.6641                 0.3271                -0.5959
 Delta2 Fr= 1--      0.0955                 0.1925                -0.2914
 Raman1 Fr= 1--      24.262                  4.088                 11.111
 ROA1   Fr= 1--     162.813                 37.563                -66.526
 CID1   Fr= 1--       6.711                  9.188                 -5.987
 Raman2 Fr= 1--       9.911                  1.732                  4.219
 ROA2   Fr= 1--      39.175                  6.310                -11.970
 CID2   Fr= 1--       3.953                  3.644                 -2.837
 Raman3 Fr= 1--      19.822                  3.463                  8.438
 ROA3   Fr= 1--     162.813                 37.563                -66.526
 CID3   Fr= 1--       8.214                 10.847                 -7.884
 RC180  Fr= 1--       0.634                  0.694                  0.519
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.04  -0.00     0.03   0.00   0.01     0.00  -0.00   0.00
     2   6     0.00  -0.03  -0.02     0.04   0.00  -0.02    -0.00  -0.00   0.00
     3   6     0.00   0.00   0.00    -0.01   0.00   0.01    -0.01  -0.01  -0.02
     4   6    -0.00   0.00  -0.00    -0.01   0.00  -0.01     0.01  -0.00   0.01
     5   8     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.01   0.00  -0.02     0.02   0.02  -0.02     0.00   0.00  -0.00
     7   7    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.02  -0.07  -0.02
     8   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     9   1    -0.02   0.01   0.01     0.00  -0.01  -0.00     0.01   0.05  -0.01
    10   1    -0.02  -0.01  -0.03    -0.08   0.03   0.06     0.03  -0.02  -0.02
    11   1    -0.02   0.00  -0.01    -0.01   0.00  -0.02     0.03  -0.00   0.01
    12   1     0.01  -0.01  -0.00    -0.00   0.00   0.01    -0.41   0.36   0.44
    13   1    -0.01  -0.01  -0.01     0.01  -0.00   0.00     0.25   0.65   0.06
    14   1     0.10   0.11   0.30    -0.05   0.25  -0.11     0.00  -0.01   0.01
    15   1    -0.21   0.06   0.08    -0.08  -0.17   0.41    -0.01   0.01  -0.00
    16   1     0.24  -0.08  -0.04    -0.28  -0.34  -0.06     0.00   0.00   0.00
    17   1    -0.02   0.59   0.13     0.12  -0.08   0.25    -0.00   0.02   0.00
    18   1     0.30   0.08  -0.29    -0.35  -0.26  -0.19     0.00  -0.00  -0.02
    19   1    -0.37  -0.00   0.28    -0.33   0.28  -0.11    -0.02   0.01   0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1834.5192              2985.8625              3036.3373
 Red. masses --      9.3980                 1.0830                 1.0362
 Frc consts  --     18.6350                 5.6890                 5.6286
 IR Inten    --    283.5996                33.5231                20.4500
 RamAct Fr= 1--     11.0337               109.9806                 9.7046
  Dep-P Fr= 1--      0.2682                 0.3053                 0.2112
  Dep-U Fr= 1--      0.4230                 0.4678                 0.3487
 Alpha2 Fr= 1--      0.1242                 1.1101                 0.1279
 Beta2  Fr= 1--      0.7779                 8.5751                 0.5640
 AlphaG Fr= 1--      0.0066                 0.7389                 0.0711
 Gamma2 Fr= 1--      0.9693                 4.3082                -0.6896
 Delta2 Fr= 1--     -0.3893                -1.8230                -0.8749
 Raman1 Fr= 1--      44.135                439.923                 38.818
 ROA1   Fr= 1--      80.598                355.249                -94.198
 CID1   Fr= 1--       1.826                  0.808                 -2.427
 Raman2 Fr= 1--       9.335                102.901                  6.768
 ROA2   Fr= 1--      26.379                117.980                 -9.551
 CID2   Fr= 1--       2.826                  1.147                 -1.411
 Raman3 Fr= 1--      18.670                205.801                 13.536
 ROA3   Fr= 1--      80.598                355.249                -94.198
 CID3   Fr= 1--       4.317                  1.726                 -6.959
 RC180  Fr= 1--      -0.154                 -0.064                 -0.303
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.00   0.00     0.00   0.01   0.00     0.00  -0.00   0.04
     2   6    -0.01   0.01   0.01    -0.04  -0.06  -0.04     0.00   0.00   0.00
     3   6    -0.01  -0.05  -0.01    -0.00  -0.00   0.00    -0.00   0.00  -0.01
     4   6    -0.04   0.70  -0.05     0.00   0.00   0.00     0.00   0.00   0.00
     5   8    -0.02  -0.06  -0.02    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.00   0.00   0.00     0.01   0.00   0.00     0.02  -0.02   0.01
     7   7     0.00  -0.01   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     8   8     0.02  -0.43   0.03    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   1     0.07   0.15   0.03    -0.01   0.02  -0.06     0.01  -0.05   0.14
    10   1     0.07  -0.01  -0.04     0.47   0.73   0.47    -0.01  -0.02  -0.01
    11   1     0.38  -0.02   0.34     0.00   0.00  -0.00    -0.00  -0.00   0.00
    12   1     0.00  -0.01   0.03    -0.00   0.01   0.00    -0.00  -0.00   0.00
    13   1    -0.00   0.02  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    14   1    -0.00  -0.06  -0.02    -0.04  -0.00   0.02    -0.36  -0.04   0.14
    15   1     0.07  -0.02  -0.03    -0.02  -0.04  -0.02     0.12   0.21   0.12
    16   1     0.00   0.01   0.00     0.00   0.01  -0.05    -0.01   0.06  -0.37
    17   1    -0.00  -0.01  -0.01    -0.03   0.00   0.01     0.41   0.05  -0.14
    18   1    -0.03  -0.01   0.01     0.02  -0.03   0.00    -0.22   0.36  -0.07
    19   1    -0.01   0.02  -0.01    -0.03  -0.06  -0.04    -0.21  -0.36  -0.24
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3037.7537              3041.4443              3095.7370
 Red. masses --      1.0630                 1.0560                 1.1021
 Frc consts  --      5.7796                 5.7552                 6.2228
 IR Inten    --     19.0056                21.1253                23.0286
 RamAct Fr= 1--     54.3561               353.2055                54.7160
  Dep-P Fr= 1--      0.1528                 0.0207                 0.7462
  Dep-U Fr= 1--      0.2651                 0.0406                 0.8547
 Alpha2 Fr= 1--      0.8343                 7.4774                 0.0035
 Beta2  Fr= 1--      2.4019                 2.3888                 7.7939
 AlphaG Fr= 1--     -0.2866                 0.6235                -0.0230
 Gamma2 Fr= 1--      0.1186                 3.5512                 0.3148
 Delta2 Fr= 1--      2.2743                 1.0593                 3.0110
 Raman1 Fr= 1--     217.424               1412.822                218.864
 ROA1   Fr= 1--      84.163                374.816                126.572
 CID1   Fr= 1--       0.387                  0.265                  0.578
 Raman2 Fr= 1--      28.822                 28.666                 93.527
 ROA2   Fr= 1--     -15.348                 76.755                -16.534
 CID2   Fr= 1--      -0.532                  2.678                 -0.177
 Raman3 Fr= 1--      57.645                 57.332                187.053
 ROA3   Fr= 1--      84.163                374.816                126.572
 CID3   Fr= 1--       1.460                  6.538                  0.677
 RC180  Fr= 1--      -0.470                 -0.919                  0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.02     0.00  -0.00   0.02    -0.02  -0.00  -0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     3   6    -0.01   0.02  -0.06    -0.00   0.02  -0.05    -0.00   0.00  -0.00
     4   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     5   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     6   6     0.01  -0.01   0.01    -0.02   0.02  -0.01     0.05   0.01  -0.07
     7   7    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     8   8    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     9   1     0.06  -0.24   0.70     0.05  -0.20   0.59     0.00  -0.01   0.04
    10   1     0.02   0.03   0.02     0.03   0.05   0.03     0.01   0.01   0.01
    11   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    12   1    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    13   1     0.01   0.00  -0.01     0.01   0.00  -0.01     0.00   0.00  -0.00
    14   1    -0.24  -0.02   0.10     0.40   0.04  -0.16    -0.64  -0.06   0.23
    15   1     0.09   0.14   0.08    -0.14  -0.23  -0.13     0.01   0.00  -0.02
    16   1    -0.01   0.05  -0.31     0.02  -0.07   0.40     0.04  -0.12   0.68
    17   1    -0.26  -0.03   0.09     0.18   0.02  -0.06     0.18   0.02  -0.06
    18   1     0.14  -0.23   0.05    -0.11   0.19  -0.04     0.03  -0.06   0.01
    19   1     0.13   0.23   0.15    -0.11  -0.20  -0.13     0.05   0.09   0.06
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3100.1793              3102.5399              3121.1505
 Red. masses --      1.1018                 1.1017                 1.1004
 Frc consts  --      6.2391                 6.2482                 6.3157
 IR Inten    --     25.0747                28.2507                13.4000
 RamAct Fr= 1--     56.4901                65.5705                32.1239
  Dep-P Fr= 1--      0.5626                 0.7441                 0.7444
  Dep-U Fr= 1--      0.7201                 0.8532                 0.8535
 Alpha2 Fr= 1--      0.2008                 0.0066                 0.0031
 Beta2  Fr= 1--      6.7795                 9.3246                 4.5694
 AlphaG Fr= 1--      0.0843                -0.0230                 0.0199
 Gamma2 Fr= 1--    -12.4164                 6.1500                 5.1157
 Delta2 Fr= 1--     -8.1090                 1.7929                 1.6218
 Raman1 Fr= 1--     225.961                262.282                128.496
 ROA1   Fr= 1--   -1451.461                647.773                543.003
 CID1   Fr= 1--      -6.424                  2.470                  4.226
 Raman2 Fr= 1--      81.353                111.896                 54.833
 ROA2   Fr= 1--    -233.120                133.257                109.802
 CID2   Fr= 1--      -2.866                  1.191                  2.002
 Raman3 Fr= 1--     162.707                223.792                109.666
 ROA3   Fr= 1--   -1451.461                647.773                543.003
 CID3   Fr= 1--      -8.921                  2.895                  4.951
 RC180  Fr= 1--       0.440                  0.706                  0.707
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.07  -0.01     0.07  -0.06  -0.01    -0.01  -0.01  -0.00
     2   6    -0.00  -0.01  -0.00     0.00  -0.00  -0.00    -0.00  -0.01  -0.00
     3   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     4   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     5   8    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     6   6    -0.00   0.00   0.02     0.01   0.00  -0.01    -0.06  -0.05  -0.05
     7   7     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     8   8     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     9   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.01
    10   1     0.04   0.06   0.04     0.01   0.02   0.01     0.04   0.06   0.04
    11   1     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    12   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    13   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    14   1     0.10   0.01  -0.03    -0.10  -0.01   0.04     0.29   0.02  -0.12
    15   1    -0.05  -0.08  -0.04     0.01   0.01   0.00     0.39   0.70   0.39
    16   1    -0.01   0.03  -0.15     0.01  -0.02   0.09     0.00  -0.06   0.28
    17   1     0.54   0.05  -0.20    -0.53  -0.08   0.19     0.05   0.01  -0.02
    18   1    -0.15   0.21  -0.05    -0.39   0.66  -0.15    -0.01   0.02  -0.00
    19   1     0.31   0.54   0.38     0.10   0.14   0.10     0.03   0.05   0.04
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3452.1046              3504.7337              3580.0060
 Red. masses --      1.0640                 1.0494                 1.0947
 Frc consts  --      7.4706                 7.5943                 8.2665
 IR Inten    --    218.2757                 1.5194                 8.5171
 RamAct Fr= 1--     64.8103               127.5509                52.8614
  Dep-P Fr= 1--      0.0763                 0.1003                 0.7485
  Dep-U Fr= 1--      0.1418                 0.1823                 0.8561
 Alpha2 Fr= 1--      1.2019                 2.2317                 0.0014
 Beta2  Fr= 1--      1.5322                 3.8746                 7.5429
 AlphaG Fr= 1--     -0.0751                -0.3018                 0.0260
 Gamma2 Fr= 1--     -1.6763                 3.5423                -8.0387
 Delta2 Fr= 1--     -1.5636                 3.6013                -0.7102
 Raman1 Fr= 1--     259.241                510.203                211.446
 ROA1   Fr= 1--    -210.961                455.302               -794.444
 CID1   Fr= 1--      -0.814                  0.892                 -3.757
 Raman2 Fr= 1--      18.386                 46.496                 90.514
 ROA2   Fr= 1--     -27.722                 56.205               -187.247
 CID2   Fr= 1--      -1.508                  1.209                 -2.069
 Raman3 Fr= 1--      36.772                 92.991                181.029
 ROA3   Fr= 1--    -210.961                455.302               -794.444
 CID3   Fr= 1--      -5.737                  4.896                 -4.388
 RC180  Fr= 1--      -0.716                 -0.635                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     2   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     4   6     0.00  -0.01   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   8    -0.01  -0.06  -0.01     0.00   0.01   0.00    -0.00  -0.00  -0.00
     6   6     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     7   7    -0.00  -0.01  -0.00     0.00  -0.04  -0.04     0.07   0.03  -0.04
     8   8    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     9   1     0.00  -0.01   0.00    -0.00   0.00   0.01     0.00  -0.00   0.01
    10   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    11   1     0.06   0.98   0.07    -0.01  -0.13  -0.01     0.00   0.02   0.00
    12   1     0.08   0.08   0.00     0.48   0.49  -0.02    -0.49  -0.52  -0.01
    13   1    -0.05   0.01   0.06    -0.47   0.09   0.53    -0.43   0.10   0.53
    14   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    15   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    16   1     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    17   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    18   1     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    19   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  7 and mass  14.00307
 Atom     8 has atomic number  8 and mass  15.99491
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   117.07898 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   730.288281009.065421258.98002
           X            0.99614  -0.08532  -0.02041
           Y            0.08517   0.99633  -0.00820
           Z            0.02103   0.00643   0.99976
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.11860     0.08584     0.06880
 Rotational constants (GHZ):           2.47127     1.78853     1.43349
 Zero-point vibrational energy     432973.5 (Joules/Mol)
                                  103.48316 (Kcal/Mol)
 Warning -- explicit consideration of  12 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     93.75   144.41   267.13   330.50   364.23
          (Kelvin)            374.53   406.68   486.60   507.85   621.37
                              674.28   781.20   946.39  1067.82  1157.20
                             1214.51  1248.26  1324.26  1352.60  1369.38
                             1405.45  1552.69  1574.87  1621.80  1713.31
                             1741.80  1798.97  1876.32  1933.73  1975.37
                             1987.34  2031.20  2033.94  2063.91  2144.92
                             2150.84  2169.12  2178.30  2382.79  2639.46
                             4295.99  4368.61  4370.65  4375.96  4454.08
                             4460.47  4463.86  4490.64  4966.81  5042.53
                             5150.83
 
 Zero-point correction=                           0.164911 (Hartree/Particle)
 Thermal correction to Energy=                    0.174047
 Thermal correction to Enthalpy=                  0.174992
 Thermal correction to Gibbs Free Energy=         0.131312
 Sum of electronic and zero-point Energies=           -402.406573
 Sum of electronic and thermal Energies=              -402.397437
 Sum of electronic and thermal Enthalpies=            -402.396493
 Sum of electronic and thermal Free Energies=         -402.440172
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  109.216             33.566             91.932
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.188
 Rotational               0.889              2.981             28.319
 Vibrational            107.439             27.604             23.425
 Vibration     1          0.597              1.971              4.295
 Vibration     2          0.604              1.949              3.447
 Vibration     3          0.632              1.859              2.271
 Vibration     4          0.652              1.796              1.881
 Vibration     5          0.664              1.757              1.709
 Vibration     6          0.668              1.745              1.660
 Vibration     7          0.682              1.706              1.518
 Vibration     8          0.719              1.599              1.221
 Vibration     9          0.729              1.569              1.153
 Vibration    10          0.793              1.401              0.853
 Vibration    11          0.826              1.320              0.741
 Vibration    12          0.898              1.155              0.559
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.398859D-60        -60.399180       -139.074252
 Total V=0       0.284778D+16         15.454506         35.585316
 Vib (Bot)       0.232319D-73        -73.633914       -169.548354
 Vib (Bot)    1  0.316736D+01          0.500697          1.152898
 Vib (Bot)    2  0.204462D+01          0.310613          0.715213
 Vib (Bot)    3  0.107964D+01          0.033280          0.076629
 Vib (Bot)    4  0.857535D+00         -0.066748         -0.153694
 Vib (Bot)    5  0.769812D+00         -0.113615         -0.261609
 Vib (Bot)    6  0.746030D+00         -0.127244         -0.292989
 Vib (Bot)    7  0.679230D+00         -0.167983         -0.386796
 Vib (Bot)    8  0.549654D+00         -0.259911         -0.598466
 Vib (Bot)    9  0.521690D+00         -0.282588         -0.650682
 Vib (Bot)   10  0.402853D+00         -0.394853         -0.909183
 Vib (Bot)   11  0.360329D+00         -0.443301         -1.020739
 Vib (Bot)   12  0.290981D+00         -0.536136         -1.234499
 Vib (V=0)       0.165872D+03          2.219772          5.111215
 Vib (V=0)    1  0.370658D+01          0.568973          1.310110
 Vib (V=0)    2  0.260487D+01          0.415786          0.957383
 Vib (V=0)    3  0.168980D+01          0.227835          0.524611
 Vib (V=0)    4  0.149266D+01          0.173960          0.400557
 Vib (V=0)    5  0.141794D+01          0.151657          0.349204
 Vib (V=0)    6  0.139809D+01          0.145534          0.335105
 Vib (V=0)    7  0.134342D+01          0.128211          0.295217
 Vib (V=0)    8  0.124305D+01          0.094488          0.217566
 Vib (V=0)    9  0.122261D+01          0.087287          0.200985
 Vib (V=0)   10  0.114210D+01          0.057704          0.132867
 Vib (V=0)   11  0.111631D+01          0.047784          0.110028
 Vib (V=0)   12  0.107851D+01          0.032823          0.075577
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.497935D+08          7.697172         17.723394
 Rotational      0.344796D+06          5.537562         12.750707
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3  3 3        3333333 2                                       1      1 11111111111 111 111                                      
     5  5 4        1110000 9                                       8      6 55444443333 221 100  9999 888 7  6   5  44 332222 1  1   
     8  0 5        2009433 8                                       3      5 10993118740 519 297  7542 640 4  5   4  63 538653 8  06  
     0  5 2        1306186 6                                       5      6 48514421344 011 759  7200 844 2  8   3  92 383030 6  05  
 
     X  X X        XXXXXXX X                                       X      X XXXXXXXXXXX XXX XXX  XXXX XXX X  X   X  XX XXXXXX X  XX  
          X         XXX    X                                       X      X      XXX      X        XX X X                            
          X                                                        X      X      XXX                X X                              
          X                                                        X             XXX                X X                              
          X                                                        X             XX                 X X                              
          X                                                        X             XX                                                  
          X                                                        X             XX                                                  
          X                                                        X             XX                                                  
          X                                                        X             XX                                                  
          X                                                        X              X                                                  
          X                                                        X              X                                                  
          X                                                        X              X                                                  
          X                                                        X              X                                                  
          X                                                        X                                                                 
          X                                                        X                                                                 
                                                                   X                                                                 
                                                                   X                                                                 
                                                                   X                                                                 
                                                                   X                                                                 
                                                                   X                                                                 
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000001652   -0.000000477   -0.000001729
      2        6           0.000003500    0.000002749    0.000003534
      3        6          -0.000007881    0.000011348    0.000002724
      4        6           0.000001928   -0.000003206    0.000000115
      5        8           0.000001125    0.000002898    0.000001454
      6        6           0.000000644   -0.000001155    0.000002439
      7        7           0.000004675   -0.000012241    0.000000111
      8        8          -0.000000846    0.000001242   -0.000002553
      9        1           0.000000887   -0.000001392    0.000000008
     10        1          -0.000002425    0.000000412   -0.000000514
     11        1          -0.000003324   -0.000003229   -0.000003216
     12        1          -0.000000842   -0.000000148   -0.000000524
     13        1           0.000001607   -0.000000222   -0.000000451
     14        1           0.000000510    0.000001430    0.000000271
     15        1           0.000000581   -0.000000337   -0.000000527
     16        1           0.000000614   -0.000000673    0.000000067
     17        1          -0.000000132    0.000001585    0.000000049
     18        1           0.000000382    0.000001853   -0.000000722
     19        1           0.000000649   -0.000000438   -0.000000534
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000012241 RMS     0.000002981
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.806679D+02 -0.272469D+01  0.194742D+01
      2  -0.272469D+01  0.829909D+02 -0.130585D+01
      3   0.194742D+01 -0.130585D+01  0.731688D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.174827D+01  0.159309D+01  0.825811D+01
      2   0.111110D+02  0.227291D+01 -0.277310D+02
      3  -0.109085D+02  0.133677D+02 -0.347983D+00
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.770737D+02  0.124974D+02  0.215096D+02
      2   0.428725D+02 -0.952748D+01 -0.153839D+02
      3   0.342012D+02 -0.296995D+01 -0.612564D+01
      4  -0.122458D+02 -0.261754D+02  0.123141D+02
      5   0.153481D+02  0.965894D+01 -0.534317D+02
      6   0.114680D+02 -0.124391D+02 -0.220872D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.520536D+01  0.153842D+01 -0.414852D+01  0.122297D+01 -0.358578D+01
      2   0.153842D+01 -0.362127D+01 -0.703260D+00 -0.358578D+01  0.162500D+01
      3  -0.414852D+01 -0.703260D+00  0.195390D+00 -0.465283D+00 -0.289043D+01
                 6             7             8             9            10 
      1  -0.465283D+00 -0.306410D+01 -0.539933D+00 -0.213279D+00 -0.478130D+01
      2  -0.289043D+01 -0.539933D+00 -0.202730D+01 -0.244544D+01 -0.276358D+00
      3  -0.191021D+01 -0.213279D+00 -0.244544D+01  0.303400D+01  0.326730D+01
                11            12            13            14            15 
      1  -0.276358D+00  0.326730D+01  0.621593D+00  0.457218D+01  0.741371D+00
      2   0.388464D+01  0.850107D+00  0.457218D+01  0.115630D+01  0.314346D+01
      3   0.850107D+00  0.290996D+00  0.741371D+00  0.314346D+01  0.285347D+01
                16            17            18            19            20 
      1   0.460361D+01  0.922660D+00  0.321381D+00  0.435591D+01  0.258105D-03
      2   0.922660D+00  0.298842D+01  0.368569D+01  0.258105D-03 -0.214655D+01
      3   0.321381D+00  0.368569D+01 -0.400601D+01 -0.204248D+01 -0.136014D+01
                21            22            23            24            25 
      1  -0.204248D+01  0.313866D+00 -0.294411D+01 -0.104842D+01 -0.246592D+01
      2  -0.136014D+01 -0.294411D+01  0.644074D+00  0.148184D+00 -0.152233D+01
      3   0.570228D+00 -0.104842D+01  0.148184D+00 -0.242818D+01  0.103215D+01
                26            27            28            29            30 
      1  -0.152233D+01  0.103215D+01  0.180383D+00  0.835178D+00  0.613555D-01
      2  -0.652010D+00 -0.327586D+01  0.835178D+00  0.249191D+01  0.122396D+01
      3  -0.327586D+01  0.417294D+01  0.613555D-01  0.122396D+01  0.621574D+00
                31            32            33            34            35 
      1  -0.851639D+00  0.168072D+00  0.102026D+01 -0.859780D+00  0.130517D+01
      2   0.168072D+00 -0.581814D+01  0.122310D+01  0.130517D+01  0.235663D+01
      3   0.102026D+01  0.122310D+01  0.934314D+00 -0.263490D+00  0.136537D+01
                36            37            38            39            40 
      1  -0.263490D+00  0.533970D+01 -0.833029D+00  0.200285D+01  0.520761D+00
      2   0.136537D+01 -0.833029D+00  0.216830D+00 -0.364637D-01  0.188567D+01
      3  -0.152332D+00  0.200285D+01 -0.364637D-01  0.121163D+01  0.107149D+01
                41            42            43            44            45 
      1   0.188567D+01  0.107149D+01  0.260076D+01 -0.267947D-01  0.222072D+01
      2   0.398067D+01  0.192211D+01 -0.267947D-01  0.382558D+00 -0.568022D+00
      3   0.192211D+01  0.954642D+00  0.222072D+01 -0.568022D+00  0.334615D+01
                46            47            48            49            50 
      1   0.512576D+01  0.408675D+00 -0.302721D+01  0.130286D+01 -0.348794D+01
      2   0.408675D+00 -0.350413D+01 -0.361721D+00 -0.348794D+01 -0.402342D+00
      3  -0.302721D+01 -0.361721D+00  0.249449D+00 -0.541880D+00 -0.203654D+01
                51            52            53            54            55 
      1  -0.541880D+00 -0.356969D+01 -0.336259D+00  0.103005D+01  0.961437D+00
      2  -0.203654D+01 -0.336259D+00 -0.171645D+01 -0.284216D+01  0.623643D+00
      3  -0.201432D+01  0.103005D+01 -0.284216D+01  0.626135D+01  0.188636D+01
                56            57            58            59            60 
      1   0.623643D+00  0.188636D+01  0.219612D+00  0.355191D+01 -0.416167D-01
      2   0.365325D+01  0.225423D+00  0.355191D+01 -0.409629D+00  0.946401D+00
      3   0.225423D+00 -0.200748D+01 -0.416167D-01  0.946401D+00  0.543760D+00
                61            62            63            64            65 
      1   0.280346D+01 -0.966673D+00 -0.250006D+01 -0.214139D+01  0.292791D+01
      2  -0.966673D+00  0.169796D+01  0.911659D+00  0.292791D+01  0.637960D-01
      3  -0.250006D+01  0.911659D+00  0.160411D+01 -0.549252D+00 -0.470298D+00
                66            67            68            69            70 
      1  -0.549252D+00  0.395901D+01  0.114341D+01 -0.112007D+00 -0.256312D+00
      2  -0.470298D+00  0.114341D+01  0.133560D+02 -0.131330D+01 -0.499971D+00
      3  -0.391752D+00 -0.112007D+00 -0.131330D+01  0.195629D+01  0.222511D+00
                71            72            73            74            75 
      1  -0.499971D+00  0.222511D+00 -0.124216D+01  0.451214D+00 -0.814530D+00
      2  -0.922930D+00  0.259832D+01  0.451214D+00 -0.411820D-01  0.183619D+00
      3   0.259832D+01 -0.824494D+00 -0.814530D+00  0.183619D+00 -0.464479D+00
                76            77            78            79            80 
      1   0.671688D+00  0.121959D+00  0.151593D+00 -0.132620D+01  0.532534D+00
      2   0.121959D+00  0.114245D+01 -0.159971D+01  0.532534D+00 -0.198455D+01
      3   0.151593D+00 -0.159971D+01  0.199407D+01 -0.159290D+00  0.183095D+01
                81            82            83            84            85 
      1  -0.159290D+00 -0.221976D+01 -0.159781D+01 -0.165397D+01 -0.239086D+01
      2   0.183095D+01 -0.159781D+01 -0.235897D+01 -0.787441D+00 -0.250694D+01
      3  -0.766142D+01 -0.165397D+01 -0.787441D+00 -0.131015D+01 -0.799250D+00
                86            87            88            89            90 
      1  -0.250694D+01 -0.799250D+00 -0.227320D+01 -0.822233D+00 -0.123431D+01
      2  -0.497995D+01 -0.212313D+01 -0.822233D+00 -0.237948D+01 -0.213355D+01
      3  -0.212313D+01 -0.218547D+01 -0.123431D+01 -0.213355D+01 -0.188339D+01
                91            92            93            94            95 
      1   0.118990D+01 -0.804232D+00  0.103125D+00 -0.235721D+01 -0.723154D-01
      2  -0.804232D+00  0.132006D+00 -0.556626D+00 -0.723154D-01 -0.508330D+01
      3   0.103125D+00 -0.556626D+00  0.193821D+00 -0.163098D+01 -0.591055D+00
                96            97            98            99           100 
      1  -0.163098D+01  0.163019D+00 -0.604031D+00  0.111200D+00 -0.226144D+01
      2  -0.591055D+00 -0.604031D+00 -0.126896D+00 -0.967206D+00 -0.188080D+01
      3  -0.225612D+01  0.111200D+00 -0.967206D+00  0.823577D+00 -0.841888D-02
               101           102           103           104           105 
      1  -0.188080D+01 -0.841888D-02 -0.218200D+01 -0.207086D+01 -0.307867D+00
      2  -0.416593D+01 -0.722364D+00 -0.207086D+01 -0.660139D+01 -0.128019D+01
      3  -0.722364D+00 -0.665177D+00 -0.307867D+00 -0.128019D+01 -0.130854D+01
               106           107           108           109           110 
      1   0.257788D+00  0.524960D-01  0.122379D+00  0.357100D+01 -0.167210D+01
      2   0.524960D-01 -0.350440D+00 -0.598373D+00 -0.167210D+01  0.180398D+01
      3   0.122379D+00 -0.598373D+00 -0.172942D+00 -0.239096D+01  0.135234D+01
               111           112           113           114           115 
      1  -0.239096D+01 -0.709312D+00  0.100511D+01  0.599858D+00 -0.313103D+01
      2   0.135234D+01  0.100511D+01 -0.146304D+01 -0.112707D+01  0.153203D+01
      3   0.323290D+01  0.599858D+00 -0.112707D+01 -0.992844D+00  0.299861D+01
               116           117           118           119           120 
      1   0.153203D+01  0.299861D+01 -0.996951D+01  0.136315D+01  0.161627D+01
      2  -0.199942D+01 -0.209118D+01  0.136315D+01 -0.118479D+01 -0.444903D-02
      3  -0.209118D+01 -0.371780D+01  0.161627D+01 -0.444903D-02 -0.155838D+01
               121           122           123           124           125 
      1  -0.713055D+00 -0.649619D+00  0.701346D-01  0.286461D+01 -0.476387D+00
      2  -0.649619D+00  0.122497D+00  0.470803D+00 -0.476387D+00  0.792450D+00
      3   0.701346D-01  0.470803D+00 -0.798511D-01 -0.155247D+01  0.378945D+00
               126           127           128           129           130 
      1  -0.155247D+01  0.324971D+01  0.537052D+00  0.883483D+00  0.168786D+01
      2   0.378945D+00  0.537052D+00  0.206996D+01  0.409528D+00  0.687076D+00
      3   0.462396D+00  0.883483D+00  0.409528D+00  0.795658D+00  0.383593D+00
               131           132           133           134           135 
      1   0.687076D+00  0.383593D+00  0.126156D+01  0.113498D+00  0.205723D+00
      2   0.516252D+01  0.128717D+01  0.113498D+00  0.225022D+01  0.148512D+01
      3   0.128717D+01  0.162267D+01  0.205723D+00  0.148512D+01  0.720325D+00
               136           137           138           139           140 
      1  -0.108797D+01  0.353292D+00 -0.847105D+00  0.151087D+00 -0.105463D+00
      2   0.353292D+00  0.164794D+00  0.175655D+00 -0.105463D+00  0.120698D+01
      3  -0.847105D+00  0.175655D+00 -0.588643D+00  0.358006D+00 -0.119675D+01
               141           142           143           144           145 
      1   0.358006D+00 -0.179719D+01  0.866462D+00 -0.162495D+01 -0.765177D+01
      2  -0.119675D+01  0.866462D+00 -0.202045D+01  0.247849D+01 -0.120098D+01
      3   0.144018D+01 -0.162495D+01  0.247849D+01 -0.822709D+01  0.363876D+01
               146           147           148           149           150 
      1  -0.120098D+01  0.363876D+01 -0.929998D+00 -0.739660D+00  0.444272D+00
      2  -0.110018D+01  0.802959D+00 -0.739660D+00 -0.779018D+00  0.887461D+00
      3   0.802959D+00 -0.323420D+01  0.444272D+00  0.887461D+00 -0.182845D+00
               151           152           153           154           155 
      1   0.230121D+01  0.422473D+00 -0.204803D+01  0.124734D+01 -0.151145D+01
      2   0.422473D+00  0.632977D+00 -0.237907D+00 -0.151145D+01  0.227392D+01
      3  -0.204803D+01 -0.237907D+00  0.194468D+01  0.872936D+00 -0.783011D+00
               156           157           158           159           160 
      1   0.872936D+00 -0.186903D+01  0.188064D+01 -0.338854D+00  0.705558D+00
      2  -0.783011D+00  0.188064D+01 -0.556573D+01  0.225695D+01 -0.419695D+00
      3   0.132146D+01 -0.338854D+00  0.225695D+01 -0.216253D+01  0.646411D+00
               161           162           163           164           165 
      1  -0.419695D+00  0.646411D+00  0.928795D+00  0.737969D+00  0.115002D+01
      2   0.144201D+01 -0.111214D+01  0.737969D+00  0.136790D+01  0.562185D+00
      3  -0.111214D+01  0.110254D+01  0.115002D+01  0.562185D+00  0.153716D+01
               166           167           168           169           170 
      1   0.133180D+01  0.114666D+01  0.445581D+00  0.118184D+01  0.466996D+00
      2   0.114666D+01  0.270601D+01  0.187254D+01  0.466996D+00  0.163669D+01
      3   0.445581D+00  0.187254D+01  0.322152D+01  0.684749D+00  0.153731D+01
               171 
      1   0.684749D+00
      2   0.153731D+01
      3   0.317341D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.537616D+00 -0.735776D+01 -0.100049D+01 -0.653516D+01  0.199863D+01
      2  -0.249786D+01 -0.272245D+01  0.108399D+02 -0.204594D+01  0.106467D+02
      3  -0.191102D+01 -0.845749D+01  0.232523D+01 -0.444695D+01  0.488203D+01
                 6             7             8             9            10 
      1  -0.103283D+02 -0.111582D+01 -0.434594D+01 -0.203938D+00  0.171112D+01
      2   0.372469D+01  0.439671D+01  0.441391D+01 -0.468324D+01 -0.836124D+01
      3  -0.376398D+01  0.148182D+01 -0.239136D+01 -0.339646D+01  0.201395D+01
                11            12            13            14            15 
      1  -0.120209D-01  0.253245D-01  0.119548D-01  0.609376D+00 -0.327904D+01
      2  -0.222750D+01  0.388849D+01  0.155183D+01 -0.244117D+01 -0.321381D+01
      3   0.356755D+01  0.176081D+01  0.932831D+01 -0.171541D+01  0.361518D+01
                16            17            18            19            20 
      1  -0.134077D+01  0.225979D+01 -0.211076D+01 -0.199947D+01  0.187928D+01
      2  -0.132242D+01 -0.247523D+01  0.559000D+01  0.149352D+01  0.471762D+00
      3  -0.150059D+01  0.267968D+01  0.415107D+01 -0.723957D+00 -0.352659D+01
                21            22            23            24            25 
      1  -0.105812D+01  0.457318D+01 -0.552570D+00  0.907464D+00  0.264899D+01
      2  -0.137942D+01 -0.671665D+00 -0.230753D+01  0.235458D+01 -0.741588D+01
      3   0.130627D+00  0.337233D+01 -0.525983D+00 -0.285780D+01  0.132506D+01
                26            27            28            29            30 
      1   0.389530D+01  0.291642D+01 -0.111219D+01 -0.463912D+01  0.423053D+00
      2  -0.161618D+01  0.317024D+01  0.120169D+02  0.439342D+01  0.263334D+01
      3  -0.814510D+00  0.196836D+00 -0.355023D+01 -0.773572D+01 -0.263099D+01
                31            32            33            34            35 
      1  -0.380399D+01  0.351976D+00  0.642341D+01  0.274134D+01  0.699783D+01
      2  -0.364821D+00  0.140809D+01 -0.560878D+00 -0.929896D+01 -0.260477D+01
      3  -0.594342D+01  0.865604D+01  0.226100D+01 -0.375808D+00  0.371332D+01
                36            37            38            39            40 
      1  -0.125081D+01 -0.924362D+00  0.378840D+01  0.646582D+00  0.282561D+01
      2  -0.919173D+01 -0.171172D+01 -0.134582D+01  0.515015D+01  0.244401D+00
      3  -0.234942D+00  0.219986D+01 -0.670189D+01  0.869764D+00 -0.161788D+01
                41            42            43            44            45 
      1   0.848904D+01  0.247396D+00 -0.114253D+01  0.489900D+01 -0.530447D+00
      2   0.332519D+01  0.298280D+01  0.229489D+01  0.107464D+01  0.892980D+01
      3  -0.132540D+02 -0.602404D+01 -0.167862D+01 -0.536650D+01  0.837368D+00
                46            47            48            49            50 
      1   0.321733D+01  0.271094D+01 -0.392710D+00  0.254935D+01  0.218078D+01
      2   0.102189D+02  0.115791D+01 -0.720502D+00  0.163110D+01  0.268960D+01
      3   0.688347D+01 -0.117816D+02 -0.455777D+01 -0.523982D+01 -0.588727D+01
                51            52            53            54            55 
      1   0.197418D+01 -0.250586D+01  0.714302D+01 -0.742654D+01  0.406339D+01
      2   0.461176D+01 -0.683199D+01  0.672782D+01 -0.136431D+02  0.308510D+01
      3  -0.556013D+01 -0.474593D+01 -0.502180D+01 -0.532204D+01 -0.368311D+01
                56            57            58            59            60 
      1  -0.375143D+01 -0.357145D+01 -0.380050D+01  0.403276D+01 -0.380571D+01
      2  -0.841706D+00  0.209696D+01 -0.107063D+01  0.448600D+01 -0.126551D+01
      3  -0.120209D+02 -0.447215D+01 -0.160311D+01 -0.705707D+01 -0.123907D+01
                61            62            63            64            65 
      1  -0.600179D+01  0.586713D+01  0.333773D+01  0.146507D+01  0.664758D+00
      2  -0.516278D+01  0.134822D+01  0.141453D+01 -0.367120D+01 -0.160456D+01
      3  -0.307386D+01 -0.461131D+00  0.451771D+01 -0.744946D+01  0.804611D+00
                66            67            68            69            70 
      1  -0.623022D+00 -0.964955D+00 -0.115400D+01 -0.123689D+02 -0.803575D+00
      2   0.126301D+01  0.308271D+01 -0.287860D+00  0.235399D+01 -0.120157D+01
      3   0.709436D+00  0.134846D+02 -0.157197D+02  0.148846D+01  0.101776D+01
                71            72            73            74            75 
      1  -0.214386D+00  0.457145D+00 -0.643834D+00  0.462435D+00 -0.156482D+00
      2   0.483912D+01  0.127332D+01 -0.138291D+01  0.638119D+00  0.202579D+00
      3  -0.356037D+00 -0.439827D+01  0.281196D+00 -0.539924D+00  0.475412D+00
                76            77            78            79            80 
      1  -0.213214D+00 -0.207350D+01  0.279748D+00 -0.990863D+00  0.486062D+01
      2   0.156347D+01 -0.600826D+00 -0.176271D+00 -0.381534D+01  0.915781D+00
      3   0.175015D+01 -0.115185D-01  0.875800D+00 -0.406165D+00  0.113029D+00
                81            82            83            84            85 
      1  -0.147528D+01 -0.461771D+00  0.667033D+00 -0.130716D+01  0.477708D+00
      2  -0.545136D-01  0.901959D+00  0.539994D+00  0.252533D+01 -0.166153D+01
      3  -0.473375D+00 -0.374376D+00 -0.433288D+01 -0.271307D+00  0.128703D+01
                86            87            88            89            90 
      1   0.113367D+01 -0.258496D+01 -0.259354D+00  0.156347D+01 -0.756596D+00
      2   0.126689D+01  0.350981D+01 -0.165536D+01  0.218971D+01  0.212875D+01
      3  -0.632070D+01 -0.281503D+01  0.171676D+01 -0.319757D+01 -0.234463D+01
                91            92            93            94            95 
      1  -0.633771D-01 -0.237098D+01  0.341737D+00 -0.221857D+01 -0.105855D+02
      2   0.202502D+01  0.485317D-01  0.136003D+00 -0.845112D+00 -0.175876D+01
      3   0.693268D-01  0.689907D+00  0.831791D+00  0.244950D+01  0.167479D+02
                96            97            98            99           100 
      1  -0.341185D+01 -0.456720D+00 -0.105212D+01  0.107792D+01  0.107749D+01
      2  -0.491205D+01 -0.774574D+00 -0.260325D+01 -0.648610D-02 -0.182039D+01
      3   0.402720D+01  0.302841D+00  0.298750D+01  0.236024D+01  0.897302D+01
               101           102           103           104           105 
      1   0.203733D+01 -0.214893D+01  0.335042D+00  0.249753D+01 -0.313207D+01
      2  -0.868100D+00  0.732746D+00 -0.165252D+01 -0.180082D+01 -0.186434D+00
      3   0.640048D+01  0.396482D+00  0.809892D+01  0.988556D+01  0.232636D+01
               106           107           108           109           110 
      1   0.377374D+00  0.163088D+00  0.643693D+00 -0.352365D+01  0.126695D+01
      2   0.174773D+00 -0.436738D-01  0.525584D+00  0.521836D+00  0.597912D+00
      3  -0.887893D+00  0.168477D+00  0.945105D-03 -0.531951D+01  0.588838D+00
               111           112           113           114           115 
      1   0.671525D+01  0.531324D+00 -0.945316D+00 -0.199699D+01  0.480563D+01
      2   0.332864D+01 -0.767225D-01 -0.257602D+00 -0.929982D+00 -0.565496D+00
      3   0.322000D+01  0.148929D+01  0.224022D+00 -0.195915D+00  0.498576D+01
               116           117           118           119           120 
      1  -0.126643D+01 -0.599509D+01 -0.260139D+01  0.125013D-01  0.209703D+01
      2  -0.124437D+01 -0.291162D+01 -0.818588D+01  0.470623D+00  0.752041D+01
      3  -0.248045D+00 -0.403714D+01 -0.833640D+01 -0.449421D+01  0.211235D+01
               121           122           123           124           125 
      1   0.377456D+00 -0.569287D+00 -0.930029D+00  0.150739D+01  0.291583D+00
      2  -0.164186D+00 -0.161089D+01  0.326745D+00  0.389468D+01 -0.803356D+00
      3  -0.101512D+01 -0.565636D+00  0.131509D+01  0.211795D+01  0.248810D+01
               126           127           128           129           130 
      1  -0.788245D+00 -0.184370D+01 -0.109537D+01 -0.184494D+01 -0.116940D+01
      2  -0.248891D+01 -0.137694D+01 -0.762664D+00 -0.661273D+00 -0.775273D+00
      3  -0.541336D+00  0.111156D+02  0.485917D+01  0.270582D+01  0.735901D+01
               131           132           133           134           135 
      1  -0.373695D+01 -0.474809D+01 -0.503510D+00 -0.150603D+01 -0.209963D+01
      2  -0.261912D+01 -0.300865D+01 -0.145192D+01 -0.283003D+01 -0.132659D+01
      3   0.131419D+02  0.416975D+01  0.279580D+01  0.543201D+01  0.372216D+01
               136           137           138           139           140 
      1   0.585120D+00 -0.418776D+00  0.608428D+00 -0.509016D+00  0.112151D+00
      2   0.109782D+01 -0.523680D+00  0.179186D+01 -0.356777D+00  0.243740D+01
      3  -0.132289D+00  0.110731D+00 -0.799413D-01  0.138595D+01  0.270122D+01
               141           142           143           144           145 
      1  -0.214921D+01  0.732296D+00  0.154710D+01  0.851707D+01  0.106342D+01
      2  -0.320078D+01 -0.944892D+00 -0.430456D+01  0.173526D+02  0.807514D+01
      3  -0.217172D+01 -0.655010D+00 -0.412900D+01  0.432294D+01  0.480886D+01
               146           147           148           149           150 
      1  -0.220966D+01 -0.166740D+01 -0.346764D+00 -0.289232D+00  0.155065D+00
      2   0.448475D+00  0.205253D+01  0.101316D+01 -0.623096D+00 -0.282929D+00
      3  -0.319352D+01 -0.138327D+01  0.701312D+00 -0.751215D+00  0.863334D+00
               151           152           153           154           155 
      1  -0.952211D+00  0.207077D+01  0.113674D+01 -0.204410D+01  0.439426D+01
      2  -0.273450D+01 -0.616154D+00 -0.171193D+00 -0.485926D+01  0.392073D+01
      3  -0.136412D+01  0.131124D+01  0.142110D+01 -0.447334D+01  0.355907D+01
               156           157           158           159           160 
      1   0.121027D+01  0.389723D+01 -0.810448D+01 -0.114197D+01  0.918404D-01
      2  -0.173405D+01  0.492231D+01 -0.689123D+01  0.259351D+01 -0.313132D+01
      3  -0.144698D+01  0.677708D+01 -0.838695D+01  0.269245D+01 -0.141005D+01
               161           162           163           164           165 
      1   0.246801D+01 -0.523353D+00  0.257252D+01  0.397123D+01  0.170306D+01
      2   0.226493D+01 -0.194129D+01 -0.459730D+01 -0.244448D+01 -0.307925D+01
      3   0.185506D+01 -0.223966D+01  0.971614D+00  0.706207D+00 -0.425753D-01
               166           167           168           169           170 
      1   0.301130D+01  0.725835D+01  0.330239D+01  0.180490D+01  0.585638D+01
      2  -0.432382D+01 -0.506095D+01 -0.472060D+01 -0.479264D+01 -0.326758D+01
      3   0.272138D+01  0.259181D+01  0.196589D+01  0.354302D+00  0.123752D+01
               171 
      1   0.442124D+01
      2  -0.493902D+01
      3   0.145748D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.135382D+02 -0.827275D+01  0.176598D+02 -0.749549D+01  0.188536D+02
      2   0.132637D+02  0.124983D+02 -0.897289D+01  0.112380D+02 -0.890875D+01
      3   0.274513D+00 -0.422551D+01 -0.868686D+01 -0.374247D+01 -0.994486D+01
      4  -0.111768D+02  0.553942D+01  0.736430D+01  0.664293D+01  0.170000D+01
      5   0.251507D+02  0.539469D+01 -0.118856D+02  0.370423D+01 -0.181074D+01
      6   0.865624D+01 -0.959865D+01 -0.348649D+01 -0.882597D+01  0.591732D+01
                 6             7             8             9            10 
      1   0.455805D+01  0.127361D+02  0.429027D+01 -0.798401D+01  0.103828D+02
      2   0.848217D+01 -0.601708D+01  0.699027D+01 -0.202875D+01 -0.122638D+02
      3  -0.130402D+02 -0.671902D+01 -0.112805D+02  0.100128D+02  0.188104D+01
      4   0.530618D+01  0.607831D+01  0.400951D+01  0.583226D+01 -0.399442D+01
      5   0.159826D+01 -0.910469D+01  0.378369D+01 -0.655994D+01 -0.114048D+02
      6  -0.719174D+01 -0.207108D+01 -0.527272D+01 -0.878932D+01 -0.571908D+01
                11            12            13            14            15 
      1   0.388053D+00 -0.953281D+01  0.457743D+01 -0.110682D+02 -0.181237D+01
      2  -0.629459D+00  0.360344D+01 -0.324500D+01 -0.407208D+00 -0.391571D+01
      3   0.241406D+00  0.592938D+01 -0.133242D+01  0.114754D+02  0.572808D+01
      4  -0.156386D+02 -0.512431D+01 -0.158352D+02 -0.759202D+01 -0.116103D+02
      5  -0.295422D+01 -0.140903D+01 -0.713372D+00 -0.131449D+02 -0.719026D+01
      6  -0.529486D+01 -0.550409D+00 -0.556361D+01 -0.469019D+01 -0.326956D+01
                16            17            18            19            20 
      1  -0.106684D+02 -0.131711D+01  0.343697D+01 -0.766922D+01 -0.763349D+01
      2   0.378254D+01 -0.205048D+01 -0.174021D+01  0.738180D+01  0.931227D+01
      3   0.688585D+01  0.336759D+01 -0.169676D+01  0.287415D+00 -0.167878D+01
      4  -0.251770D+01 -0.930910D+01 -0.112305D+02  0.552890D+01 -0.263997D+00
      5  -0.293972D+01 -0.103899D+02  0.926353D+01  0.919427D+00 -0.150424D+01
      6  -0.225159D+01 -0.572518D+01  0.585723D+00  0.443344D+01  0.551768D+01
                21            22            23            24            25 
      1  -0.201842D+00 -0.381803D+01  0.373745D+01 -0.363777D+01  0.478619D+01
      2   0.250220D+00  0.460595D+01 -0.126684D+01 -0.469774D+01  0.651058D+00
      3  -0.483784D-01 -0.787922D+00 -0.247061D+01  0.833551D+01 -0.543725D+01
      4   0.576269D+00 -0.474713D+01  0.108127D+02  0.863314D+00 -0.115288D+01
      5  -0.143396D+01 -0.162120D+01  0.284215D+01  0.506405D+01  0.270297D+01
      6   0.406946D+01  0.118188D+01 -0.307946D+00 -0.784116D+01 -0.588239D+00
                26            27            28            29            30 
      1  -0.674791D+01  0.731009D+01 -0.465988D+01  0.226443D+01 -0.709794D+00
      2  -0.905988D+00  0.134850D+02  0.125520D+01 -0.258849D+01  0.747429D+01
      3   0.765390D+01 -0.207951D+02  0.340468D+01  0.324066D+00 -0.676450D+01
      4   0.477179D+01 -0.271612D+01  0.299367D+01  0.286478D+01  0.172366D+01
      5  -0.932882D+00 -0.131844D+01 -0.704150D+01  0.383417D+01 -0.182685D+01
      6   0.358359D+01  0.620926D+01 -0.158563D+01 -0.220581D+01  0.196774D+01
                31            32            33            34            35 
      1   0.734602D+01  0.190852D+02  0.194406D+01 -0.116282D+02  0.596392D+01
      2  -0.769627D+01 -0.352540D+02 -0.153609D+01  0.949773D+01 -0.187913D+01
      3   0.350249D+00  0.161688D+02 -0.407969D+00  0.213049D+01 -0.408479D+01
      4  -0.149646D+02 -0.182620D+02  0.342701D+01  0.387857D+01 -0.273403D+00
      5   0.651523D+01  0.581238D+01 -0.723750D+00  0.387137D+00  0.153179D+01
      6   0.499371D+00  0.200724D+01 -0.111608D+02 -0.942131D+00  0.105052D+01
                36            37            38            39            40 
      1  -0.985947D+00  0.353725D+02 -0.204410D+01  0.726852D+01  0.195974D+01
      2  -0.214767D+01 -0.233543D+02  0.191753D+01 -0.977108D+01 -0.116079D+01
      3   0.313362D+01 -0.120183D+02  0.126573D+00  0.250257D+01 -0.798945D+00
      4   0.111792D+01 -0.215346D+01  0.759860D+01  0.134884D+00  0.131454D+02
      5  -0.845422D+01  0.142308D+02 -0.135489D+01  0.141859D+02  0.231246D+01
      6  -0.116293D+01  0.612454D+00  0.947016D+00 -0.234685D+01  0.643205D+00
                41            42            43            44            45 
      1   0.592615D+01  0.393524D+01  0.111229D+02 -0.818871D+00  0.315233D+01
      2  -0.202312D+01 -0.320451D+01 -0.111602D+02  0.135865D+01 -0.152481D+02
      3  -0.390303D+01 -0.730723D+00  0.372889D-01 -0.539780D+00  0.120958D+02
      4   0.110914D+02  0.591765D+01 -0.255429D+01  0.355597D+01 -0.720092D+00
      5   0.608270D+01  0.283604D+01  0.156057D+02 -0.176587D+01  0.177705D+02
      6  -0.135354D+01  0.530512D+01  0.451574D+00  0.431025D+01  0.353191D-02
                46            47            48            49            50 
      1  -0.374503D+02  0.495632D+01  0.177800D+02 -0.293205D+01  0.168523D+02
      2   0.202104D+02 -0.101330D+02 -0.999783D+01 -0.532168D+01 -0.956642D+01
      3   0.172399D+02  0.517670D+01 -0.778215D+01  0.825374D+01 -0.728591D+01
      4   0.330763D+01  0.130538D+02 -0.231228D+01  0.141634D+02 -0.445165D+01
      5   0.135089D+02  0.299604D+00 -0.956336D-01  0.889870D+00  0.103150D+02
      6  -0.532340D+01  0.114523D+00  0.436789D+00  0.119994D+01 -0.507009D+01
                51            52            53            54            55 
      1   0.314485D+01  0.216492D+02  0.143832D+01  0.431504D+01  0.107350D+02
      2  -0.921421D+01 -0.992833D+01 -0.865488D+01  0.624432D+01 -0.501818D+01
      3   0.606937D+01 -0.117208D+02  0.721656D+01 -0.105594D+02 -0.571682D+01
      4   0.656718D+01 -0.211368D+01  0.506918D+01  0.942856D+01 -0.417600D+01
      5   0.908129D+01 -0.339297D+01  0.105609D+02 -0.263001D+02  0.521519D+01
      6  -0.371244D+01  0.186861D+01 -0.377639D+01  0.124803D+02 -0.791084D+01
                56            57            58            59            60 
      1   0.118232D+02  0.217954D+01  0.851059D+01  0.216008D+01  0.218572D+01
      2  -0.209099D+02 -0.608608D+01 -0.161892D+02  0.387798D+01 -0.365351D+01
      3   0.908665D+01  0.390654D+01  0.767865D+01 -0.603805D+01  0.146779D+01
      4   0.254092D+01 -0.475201D+01  0.650954D+01 -0.189861D+02  0.271455D+01
      5  -0.331400D+01 -0.113212D+01 -0.236402D+01 -0.218022D+01 -0.502098D+00
      6  -0.283582D+01  0.635406D+01 -0.831084D+00 -0.554936D+01  0.448506D+01
                61            62            63            64            65 
      1  -0.851777D+00  0.231152D+01 -0.464193D+01  0.338627D+01  0.638243D+01
      2  -0.361077D+01 -0.406028D+01 -0.698990D+00  0.486525D+01 -0.252701D+01
      3   0.446254D+01  0.174876D+01  0.534092D+01 -0.825152D+01 -0.385542D+01
      4  -0.608175D+01  0.449814D+01  0.101232D+02  0.392990D+01  0.155093D+02
      5  -0.646496D+01  0.517080D+01  0.948173D+01 -0.941602D+00 -0.226298D+01
      6   0.117233D+02 -0.279810D+01 -0.587720D+01 -0.100440D+01 -0.145107D+01
                66            67            68            69            70 
      1   0.574449D+00  0.273415D+01 -0.351835D+02  0.167841D+01  0.538264D+00
      2  -0.141782D+01  0.228387D+01  0.651359D+02 -0.177621D+01 -0.202987D+01
      3   0.843371D+00 -0.501802D+01 -0.299524D+02  0.977994D-01  0.149161D+01
      4  -0.204078D+01  0.214537D+02  0.327798D+02 -0.349212D+01 -0.182112D+01
      5   0.394977D+01 -0.185394D+01 -0.688506D+01  0.699543D+01  0.428635D+01
      6   0.675789D+00 -0.189252D+01 -0.352873D+01  0.181025D+02  0.175251D+01
                71            72            73            74            75 
      1  -0.208920D+00 -0.736042D+01  0.723187D+00  0.509171D+00 -0.737027D+00
      2  -0.123455D+01  0.634863D+01 -0.483678D+01 -0.315021D-01 -0.908022D+00
      3   0.144347D+01  0.101179D+01  0.411360D+01 -0.477669D+00  0.164505D+01
      4  -0.205567D+01  0.649375D+01 -0.998716D-01  0.158063D+01 -0.846480D+00
      5   0.726610D+01 -0.224695D+01  0.985705D+00 -0.164759D+01  0.636292D+01
      6   0.151678D+02 -0.214597D+01 -0.212189D+01 -0.171140D-02 -0.206059D+00
                76            77            78            79            80 
      1   0.353962D+00 -0.414743D+01  0.467522D+01 -0.451441D+00  0.338165D+01
      2   0.697684D+00 -0.107854D+01  0.406010D+01 -0.197637D+01  0.508156D+01
      3  -0.105165D+01  0.522597D+01 -0.873531D+01  0.242781D+01 -0.846321D+01
      4   0.225018D+01  0.357557D+00 -0.317272D-01 -0.109230D+00 -0.217718D+01
      5  -0.118469D+01  0.287500D+00 -0.376046D+00  0.508588D+01  0.119807D+00
      6   0.896433D+00 -0.433128D+01  0.829651D+01 -0.112026D+01  0.625573D+01
                81            82            83            84            85 
      1  -0.180124D+02  0.100499D+02  0.492329D+01  0.498940D+01  0.414784D+01
      2  -0.187504D+02 -0.252242D+01 -0.265470D+00 -0.191605D+01  0.157208D+01
      3   0.367628D+02 -0.752745D+01 -0.465782D+01 -0.307334D+01 -0.571992D+01
      4   0.875163D+00  0.121294D+02  0.141494D+02  0.591023D+01  0.146891D+02
      5  -0.137526D+00  0.830999D+01  0.514839D+01  0.783232D+01  0.526629D+01
      6  -0.611298D+01  0.440474D+01  0.400572D+01  0.367922D+01  0.447899D+01
                86            87            88            89            90 
      1  -0.756805D+00  0.446632D-01  0.424116D+01 -0.118971D+01 -0.772554D+00
      2   0.108472D+02  0.352657D+01 -0.225957D+01  0.212344D+01 -0.135214D+01
      3  -0.100904D+02 -0.357124D+01 -0.198159D+01 -0.933733D+00  0.212469D+01
      4   0.208460D+02  0.894573D+01  0.552302D+01  0.904738D+01  0.889037D+01
      5   0.839682D+01  0.773332D+01  0.839115D+01  0.812940D+01  0.828113D+01
      6   0.103825D+02  0.861720D+01  0.409771D+01  0.944651D+01  0.782557D+01
                91            92            93            94            95 
      1   0.315103D+01 -0.285102D+01  0.346416D+00 -0.101716D+02 -0.287373D+01
      2  -0.443433D+00  0.245935D+00  0.165337D+01  0.619178D+01  0.265572D+01
      3  -0.270759D+01  0.260509D+01 -0.199978D+01  0.397980D+01  0.218005D+00
      4  -0.534536D+01  0.175423D+01 -0.212610D+01  0.101992D+01 -0.163101D+02
      5  -0.421993D+00 -0.210584D+01 -0.811057D-01 -0.704279D+01 -0.102954D+01
      6  -0.100726D+01  0.176187D+01 -0.142427D+01  0.295306D+01 -0.207276D+01
                96            97            98            99           100 
      1  -0.463087D+01 -0.212198D+01 -0.388686D+00 -0.147931D+01 -0.512331D+01
      2   0.556559D+01  0.178174D+01 -0.314235D+00  0.160208D+01  0.891216D+01
      3  -0.934724D+00  0.340244D+00  0.702920D+00 -0.122761D+00 -0.378885D+01
      4  -0.662307D-01 -0.336462D+01  0.352871D+00 -0.339487D+01  0.796558D+01
      5  -0.785413D+01  0.748421D+00 -0.310482D+01  0.989203D+00  0.336888D+01
      6   0.252516D+01 -0.316702D+00  0.296659D+01 -0.327308D+01  0.235580D+01
               101           102           103           104           105 
      1  -0.124325D+02 -0.244698D+01 -0.820698D+01 -0.211048D+02 -0.477833D+01
      2   0.189780D+02  0.172677D+01  0.113924D+02  0.319587D+02  0.419814D+01
      3  -0.654556D+01  0.720212D+00 -0.318539D+01 -0.108538D+02  0.580194D+00
      4   0.781492D+01  0.254725D+00  0.764130D+01  0.590735D+01  0.193797D+00
      5   0.249964D+01  0.776924D+00  0.279939D+01  0.208893D+01 -0.610893D+00
      6   0.768071D+01  0.375944D+01  0.393945D+01  0.126949D+02  0.763452D+01
               106           107           108           109           110 
      1   0.123873D+01 -0.134999D+01 -0.128966D+01  0.414397D+01  0.162247D+01
      2  -0.603494D+00  0.110877D+01  0.102894D+01 -0.467785D+01 -0.191067D+01
      3  -0.635232D+00  0.241221D+00  0.260727D+00  0.533887D+00  0.288200D+00
      4  -0.208586D+00 -0.255510D+00  0.276948D+00 -0.123828D+02  0.837165D+01
      5   0.231497D+01  0.170739D+00  0.566245D+00 -0.136100D+02  0.691003D+01
      6  -0.170231D+00  0.453917D+01  0.139040D+01  0.108606D+02 -0.870696D+01
               111           112           113           114           115 
      1   0.228084D+00  0.116857D+01 -0.394581D+01 -0.289571D+01  0.355298D+00
      2   0.413273D+01 -0.202042D+01  0.453074D+01  0.285643D+01  0.448262D+01
      3  -0.436081D+01  0.851843D+00 -0.584926D+00  0.392775D-01 -0.483792D+01
      4   0.922435D+01  0.593847D+01 -0.519814D+01 -0.441796D+01  0.108249D+02
      5   0.134673D+02  0.277324D+01 -0.446991D+01 -0.326812D+01  0.144317D+02
      6  -0.137355D+02 -0.503332D+01  0.715521D+01  0.828929D+01 -0.128141D+02
               116           117           118           119           120 
      1  -0.474940D+01 -0.426863D+01  0.674714D+02 -0.620107D+01 -0.105562D+02
      2   0.247489D+01 -0.444194D+01 -0.333877D+02  0.114870D+01  0.534335D+01
      3   0.227450D+01  0.871057D+01 -0.340837D+02  0.505237D+01  0.521286D+01
      4  -0.699115D+01 -0.110828D+02 -0.174162D+02  0.108883D+02  0.220662D+01
      5  -0.742073D+01 -0.148033D+02 -0.592384D+01  0.599446D-01  0.108106D+02
      6   0.124172D+02  0.166905D+02  0.317630D+01  0.578870D-01 -0.341664D+01
               121           122           123           124           125 
      1   0.412369D+01  0.403889D+01 -0.900320D+00 -0.177163D+02  0.185515D+01
      2  -0.353857D+01 -0.361179D+00  0.153620D+01  0.927224D+01  0.617743D+00
      3  -0.585125D+00 -0.367771D+01 -0.635877D+00  0.844405D+01 -0.247289D+01
      4   0.726589D+01 -0.857005D+00 -0.267868D+01  0.520129D+01 -0.442585D+01
      5  -0.196165D+00 -0.232646D+01  0.497265D+00  0.102214D+02 -0.177850D+01
      6  -0.325254D+00  0.766835D+00  0.129928D+01 -0.258415D+01  0.166572D+01
               126           127           128           129           130 
      1   0.732648D+01 -0.274600D+01 -0.540785D+01 -0.406007D+01 -0.770713D+01
      2  -0.569555D+01  0.343475D+01  0.721652D+01  0.289206D+01  0.656328D+01
      3  -0.163093D+01 -0.688750D+00 -0.180866D+01  0.116802D+01  0.114385D+01
      4  -0.260664D+01  0.638245D+01 -0.348514D+01  0.856747D+00  0.336887D+01
      5  -0.397300D+01 -0.314734D+01 -0.107399D+01 -0.196067D+01 -0.203757D+01
      6   0.536989D+00  0.188628D+01  0.913361D+00  0.248786D+01  0.750831D+00
               131           132           133           134           135 
      1  -0.151188D+02 -0.466298D+01 -0.611606D+01 -0.450454D+01 -0.529975D+01
      2   0.247487D+02  0.733932D+01  0.325341D+01  0.785146D+01  0.332009D+01
      3  -0.962997D+01 -0.267635D+01  0.286265D+01 -0.334692D+01  0.197966D+01
      4  -0.145395D+02 -0.336236D+01  0.251839D+01 -0.657839D+01 -0.361475D+01
      5  -0.531357D+01 -0.659189D+01  0.328707D+00 -0.523918D+01 -0.161399D+01
      6   0.429600D+01  0.635052D+01  0.718203D+00  0.606814D+01  0.324935D+01
               136           137           138           139           140 
      1   0.564777D+01 -0.189599D+01  0.298417D+01 -0.301207D+00 -0.462195D+01
      2  -0.479658D+01  0.141546D+01 -0.216892D+01  0.499019D+00  0.310593D+01
      3  -0.851186D+00  0.480531D+00 -0.815242D+00 -0.197812D+00  0.151602D+01
      4  -0.292150D+01  0.151880D+01 -0.266761D+01  0.254138D+01 -0.476198D+01
      5   0.443804D+01 -0.214347D+01  0.786013D+01 -0.228581D+01  0.507734D+01
      6  -0.166914D+01  0.841509D+00 -0.165392D+01  0.164321D+01 -0.490066D+01
               141           142           143           144           145 
      1   0.226185D+01  0.586653D+01  0.236101D+01 -0.932420D+01  0.333061D+02
      2  -0.961186D+00 -0.548731D+01 -0.302349D+00 -0.134360D+02 -0.229316D+02
      3  -0.130066D+01 -0.379214D+00 -0.205866D+01  0.227602D+02 -0.103745D+02
      4   0.545920D+01 -0.657173D+01  0.888325D+01 -0.922748D+01  0.154542D+02
      5  -0.682089D+01  0.133097D+02 -0.109679D+02  0.365634D+02 -0.338105D+02
      6   0.960631D+01 -0.370964D+01  0.106812D+02 -0.191326D+02 -0.707018D+01
               146           147           148           149           150 
      1   0.311049D+01 -0.951774D+01  0.260579D+01  0.932459D+00 -0.495486D+00
      2  -0.141195D+01  0.131419D+02 -0.112549D+01  0.364973D-01 -0.430652D+00
      3  -0.169854D+01 -0.362420D+01 -0.148030D+01 -0.968957D+00  0.926138D+00
      4   0.936753D+01 -0.784083D+01  0.778753D+01  0.393458D+01 -0.425966D+01
      5  -0.593989D+01  0.232535D+02 -0.377829D+01 -0.423915D+01  0.220968D+01
      6  -0.536343D+01  0.628379D+01 -0.338863D+01 -0.306411D+01  0.474812D+01
               151           152           153           154           155 
      1  -0.576929D+01 -0.625182D+00  0.387994D+01 -0.371701D+01  0.833442D+01
      2   0.869710D+01  0.301536D+00 -0.939334D+01  0.320614D+01 -0.820621D+01
      3  -0.292780D+01  0.323646D+00  0.551340D+01  0.510865D+00 -0.128208D+00
      4  -0.492680D+01 -0.320063D+01  0.398952D+01 -0.988193D+00  0.744815D+00
      5   0.169855D+02  0.270542D+01 -0.138262D+02  0.131643D+01 -0.272562D+01
      6   0.431758D+01  0.407174D+01 -0.366658D+01 -0.485396D+01  0.867746D+01
               156           157           158           159           160 
      1  -0.676690D+01  0.773689D+01 -0.202928D+02  0.859353D+01 -0.377755D+01
      2   0.169543D+01 -0.767287D+01  0.224405D+02 -0.379764D+01  0.117344D+01
      3   0.507148D+01 -0.640158D-01 -0.214771D+01 -0.479588D+01  0.260411D+01
      4  -0.364518D+00  0.255119D+01  0.643003D+01 -0.377543D+01 -0.954501D+00
      5   0.177808D+01 -0.468344D+01  0.552294D+00  0.213300D+01  0.316779D+01
      6  -0.504993D+01  0.585248D+01 -0.197622D+02  0.129929D+02 -0.342636D+01
               161           162           163           164           165 
      1   0.603962D+01 -0.683091D+01 -0.190883D+01 -0.120849D+01 -0.688435D+01
      2  -0.304285D+01  0.177226D+01 -0.207537D+01 -0.230257D+01 -0.197316D+01
      3  -0.299678D+01  0.505865D+01  0.398419D+01  0.351106D+01  0.885752D+01
      4  -0.141894D+01  0.256254D+00  0.238192D+00 -0.918601D+00 -0.148271D+01
      5  -0.366407D+00  0.445715D+00  0.805027D+00  0.157440D+01  0.271638D+01
      6   0.102036D+02 -0.648994D+01  0.187993D+01  0.494058D+01  0.215597D+01
               166           167           168           169           170 
      1  -0.281575D+01 -0.779961D+01 -0.833718D+01 -0.473166D+01 -0.487056D+01
      2  -0.706567D+00  0.182616D+00 -0.611818D+01 -0.817120D+00 -0.459304D+01
      3   0.352232D+01  0.761699D+01  0.144554D+02  0.554878D+01  0.946360D+01
      4  -0.754077D+00 -0.562573D+01 -0.375270D+01 -0.164764D+01 -0.350225D+01
      5   0.350056D+01 -0.556183D-01 -0.421025D+01  0.460292D+01 -0.197269D+00
      6   0.376896D+01  0.101050D+02  0.809204D+01  0.234036D+01  0.813553D+01
               171 
      1  -0.995035D+01
      2  -0.764750D+01
      3   0.175978D+02
      4  -0.269060D+01
      5  -0.218035D+01
      6   0.637311D+01
 Leave Link  716 at Fri Aug 13 11:24:47 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.806679D+02 -0.272469D+01  0.194742D+01
      2  -0.272469D+01  0.829909D+02 -0.130585D+01
      3   0.194742D+01 -0.130585D+01  0.731688D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.174827D+01  0.159309D+01  0.825811D+01
      2   0.111110D+02  0.227291D+01 -0.277310D+02
      3  -0.109085D+02  0.133677D+02 -0.347983D+00
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.770737D+02  0.124974D+02  0.215096D+02
      2   0.428725D+02 -0.952748D+01 -0.153839D+02
      3   0.342012D+02 -0.296995D+01 -0.612564D+01
      4  -0.122458D+02 -0.261754D+02  0.123141D+02
      5   0.153481D+02  0.965894D+01 -0.534317D+02
      6   0.114680D+02 -0.124391D+02 -0.220872D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.520536D+01  0.153842D+01 -0.414852D+01  0.122297D+01 -0.358578D+01
      2   0.153842D+01 -0.362127D+01 -0.703260D+00 -0.358578D+01  0.162500D+01
      3  -0.414852D+01 -0.703260D+00  0.195390D+00 -0.465283D+00 -0.289043D+01
                 6             7             8             9            10 
      1  -0.465283D+00 -0.306410D+01 -0.539933D+00 -0.213279D+00 -0.478130D+01
      2  -0.289043D+01 -0.539933D+00 -0.202730D+01 -0.244544D+01 -0.276358D+00
      3  -0.191021D+01 -0.213279D+00 -0.244544D+01  0.303400D+01  0.326730D+01
                11            12            13            14            15 
      1  -0.276358D+00  0.326730D+01  0.621593D+00  0.457218D+01  0.741371D+00
      2   0.388464D+01  0.850107D+00  0.457218D+01  0.115630D+01  0.314346D+01
      3   0.850107D+00  0.290996D+00  0.741371D+00  0.314346D+01  0.285347D+01
                16            17            18            19            20 
      1   0.460361D+01  0.922660D+00  0.321381D+00  0.435591D+01  0.258105D-03
      2   0.922660D+00  0.298842D+01  0.368569D+01  0.258105D-03 -0.214655D+01
      3   0.321381D+00  0.368569D+01 -0.400601D+01 -0.204248D+01 -0.136014D+01
                21            22            23            24            25 
      1  -0.204248D+01  0.313866D+00 -0.294411D+01 -0.104842D+01 -0.246592D+01
      2  -0.136014D+01 -0.294411D+01  0.644074D+00  0.148184D+00 -0.152233D+01
      3   0.570228D+00 -0.104842D+01  0.148184D+00 -0.242818D+01  0.103215D+01
                26            27            28            29            30 
      1  -0.152233D+01  0.103215D+01  0.180383D+00  0.835178D+00  0.613555D-01
      2  -0.652010D+00 -0.327586D+01  0.835178D+00  0.249191D+01  0.122396D+01
      3  -0.327586D+01  0.417294D+01  0.613555D-01  0.122396D+01  0.621574D+00
                31            32            33            34            35 
      1  -0.851639D+00  0.168072D+00  0.102026D+01 -0.859780D+00  0.130517D+01
      2   0.168072D+00 -0.581814D+01  0.122310D+01  0.130517D+01  0.235663D+01
      3   0.102026D+01  0.122310D+01  0.934314D+00 -0.263490D+00  0.136537D+01
                36            37            38            39            40 
      1  -0.263490D+00  0.533970D+01 -0.833029D+00  0.200285D+01  0.520761D+00
      2   0.136537D+01 -0.833029D+00  0.216830D+00 -0.364637D-01  0.188567D+01
      3  -0.152332D+00  0.200285D+01 -0.364637D-01  0.121163D+01  0.107149D+01
                41            42            43            44            45 
      1   0.188567D+01  0.107149D+01  0.260076D+01 -0.267947D-01  0.222072D+01
      2   0.398067D+01  0.192211D+01 -0.267947D-01  0.382558D+00 -0.568022D+00
      3   0.192211D+01  0.954642D+00  0.222072D+01 -0.568022D+00  0.334615D+01
                46            47            48            49            50 
      1   0.512576D+01  0.408675D+00 -0.302721D+01  0.130286D+01 -0.348794D+01
      2   0.408675D+00 -0.350413D+01 -0.361721D+00 -0.348794D+01 -0.402342D+00
      3  -0.302721D+01 -0.361721D+00  0.249449D+00 -0.541880D+00 -0.203654D+01
                51            52            53            54            55 
      1  -0.541880D+00 -0.356969D+01 -0.336259D+00  0.103005D+01  0.961437D+00
      2  -0.203654D+01 -0.336259D+00 -0.171645D+01 -0.284216D+01  0.623643D+00
      3  -0.201432D+01  0.103005D+01 -0.284216D+01  0.626135D+01  0.188636D+01
                56            57            58            59            60 
      1   0.623643D+00  0.188636D+01  0.219612D+00  0.355191D+01 -0.416167D-01
      2   0.365325D+01  0.225423D+00  0.355191D+01 -0.409629D+00  0.946401D+00
      3   0.225423D+00 -0.200748D+01 -0.416167D-01  0.946401D+00  0.543760D+00
                61            62            63            64            65 
      1   0.280346D+01 -0.966673D+00 -0.250006D+01 -0.214139D+01  0.292791D+01
      2  -0.966673D+00  0.169796D+01  0.911659D+00  0.292791D+01  0.637960D-01
      3  -0.250006D+01  0.911659D+00  0.160411D+01 -0.549252D+00 -0.470298D+00
                66            67            68            69            70 
      1  -0.549252D+00  0.395901D+01  0.114341D+01 -0.112007D+00 -0.256312D+00
      2  -0.470298D+00  0.114341D+01  0.133560D+02 -0.131330D+01 -0.499971D+00
      3  -0.391752D+00 -0.112007D+00 -0.131330D+01  0.195629D+01  0.222511D+00
                71            72            73            74            75 
      1  -0.499971D+00  0.222511D+00 -0.124216D+01  0.451214D+00 -0.814530D+00
      2  -0.922930D+00  0.259832D+01  0.451214D+00 -0.411820D-01  0.183619D+00
      3   0.259832D+01 -0.824494D+00 -0.814530D+00  0.183619D+00 -0.464479D+00
                76            77            78            79            80 
      1   0.671688D+00  0.121959D+00  0.151593D+00 -0.132620D+01  0.532534D+00
      2   0.121959D+00  0.114245D+01 -0.159971D+01  0.532534D+00 -0.198455D+01
      3   0.151593D+00 -0.159971D+01  0.199407D+01 -0.159290D+00  0.183095D+01
                81            82            83            84            85 
      1  -0.159290D+00 -0.221976D+01 -0.159781D+01 -0.165397D+01 -0.239086D+01
      2   0.183095D+01 -0.159781D+01 -0.235897D+01 -0.787441D+00 -0.250694D+01
      3  -0.766142D+01 -0.165397D+01 -0.787441D+00 -0.131015D+01 -0.799250D+00
                86            87            88            89            90 
      1  -0.250694D+01 -0.799250D+00 -0.227320D+01 -0.822233D+00 -0.123431D+01
      2  -0.497995D+01 -0.212313D+01 -0.822233D+00 -0.237948D+01 -0.213355D+01
      3  -0.212313D+01 -0.218547D+01 -0.123431D+01 -0.213355D+01 -0.188339D+01
                91            92            93            94            95 
      1   0.118990D+01 -0.804232D+00  0.103125D+00 -0.235721D+01 -0.723154D-01
      2  -0.804232D+00  0.132006D+00 -0.556626D+00 -0.723154D-01 -0.508330D+01
      3   0.103125D+00 -0.556626D+00  0.193821D+00 -0.163098D+01 -0.591055D+00
                96            97            98            99           100 
      1  -0.163098D+01  0.163019D+00 -0.604031D+00  0.111200D+00 -0.226144D+01
      2  -0.591055D+00 -0.604031D+00 -0.126896D+00 -0.967206D+00 -0.188080D+01
      3  -0.225612D+01  0.111200D+00 -0.967206D+00  0.823577D+00 -0.841888D-02
               101           102           103           104           105 
      1  -0.188080D+01 -0.841888D-02 -0.218200D+01 -0.207086D+01 -0.307867D+00
      2  -0.416593D+01 -0.722364D+00 -0.207086D+01 -0.660139D+01 -0.128019D+01
      3  -0.722364D+00 -0.665177D+00 -0.307867D+00 -0.128019D+01 -0.130854D+01
               106           107           108           109           110 
      1   0.257788D+00  0.524960D-01  0.122379D+00  0.357100D+01 -0.167210D+01
      2   0.524960D-01 -0.350440D+00 -0.598373D+00 -0.167210D+01  0.180398D+01
      3   0.122379D+00 -0.598373D+00 -0.172942D+00 -0.239096D+01  0.135234D+01
               111           112           113           114           115 
      1  -0.239096D+01 -0.709312D+00  0.100511D+01  0.599858D+00 -0.313103D+01
      2   0.135234D+01  0.100511D+01 -0.146304D+01 -0.112707D+01  0.153203D+01
      3   0.323290D+01  0.599858D+00 -0.112707D+01 -0.992844D+00  0.299861D+01
               116           117           118           119           120 
      1   0.153203D+01  0.299861D+01 -0.996951D+01  0.136315D+01  0.161627D+01
      2  -0.199942D+01 -0.209118D+01  0.136315D+01 -0.118479D+01 -0.444903D-02
      3  -0.209118D+01 -0.371780D+01  0.161627D+01 -0.444903D-02 -0.155838D+01
               121           122           123           124           125 
      1  -0.713055D+00 -0.649619D+00  0.701346D-01  0.286461D+01 -0.476387D+00
      2  -0.649619D+00  0.122497D+00  0.470803D+00 -0.476387D+00  0.792450D+00
      3   0.701346D-01  0.470803D+00 -0.798511D-01 -0.155247D+01  0.378945D+00
               126           127           128           129           130 
      1  -0.155247D+01  0.324971D+01  0.537052D+00  0.883483D+00  0.168786D+01
      2   0.378945D+00  0.537052D+00  0.206996D+01  0.409528D+00  0.687076D+00
      3   0.462396D+00  0.883483D+00  0.409528D+00  0.795658D+00  0.383593D+00
               131           132           133           134           135 
      1   0.687076D+00  0.383593D+00  0.126156D+01  0.113498D+00  0.205723D+00
      2   0.516252D+01  0.128717D+01  0.113498D+00  0.225022D+01  0.148512D+01
      3   0.128717D+01  0.162267D+01  0.205723D+00  0.148512D+01  0.720325D+00
               136           137           138           139           140 
      1  -0.108797D+01  0.353292D+00 -0.847105D+00  0.151087D+00 -0.105463D+00
      2   0.353292D+00  0.164794D+00  0.175655D+00 -0.105463D+00  0.120698D+01
      3  -0.847105D+00  0.175655D+00 -0.588643D+00  0.358006D+00 -0.119675D+01
               141           142           143           144           145 
      1   0.358006D+00 -0.179719D+01  0.866462D+00 -0.162495D+01 -0.765177D+01
      2  -0.119675D+01  0.866462D+00 -0.202045D+01  0.247849D+01 -0.120098D+01
      3   0.144018D+01 -0.162495D+01  0.247849D+01 -0.822709D+01  0.363876D+01
               146           147           148           149           150 
      1  -0.120098D+01  0.363876D+01 -0.929998D+00 -0.739660D+00  0.444272D+00
      2  -0.110018D+01  0.802959D+00 -0.739660D+00 -0.779018D+00  0.887461D+00
      3   0.802959D+00 -0.323420D+01  0.444272D+00  0.887461D+00 -0.182845D+00
               151           152           153           154           155 
      1   0.230121D+01  0.422473D+00 -0.204803D+01  0.124734D+01 -0.151145D+01
      2   0.422473D+00  0.632977D+00 -0.237907D+00 -0.151145D+01  0.227392D+01
      3  -0.204803D+01 -0.237907D+00  0.194468D+01  0.872936D+00 -0.783011D+00
               156           157           158           159           160 
      1   0.872936D+00 -0.186903D+01  0.188064D+01 -0.338854D+00  0.705558D+00
      2  -0.783011D+00  0.188064D+01 -0.556573D+01  0.225695D+01 -0.419695D+00
      3   0.132146D+01 -0.338854D+00  0.225695D+01 -0.216253D+01  0.646411D+00
               161           162           163           164           165 
      1  -0.419695D+00  0.646411D+00  0.928795D+00  0.737969D+00  0.115002D+01
      2   0.144201D+01 -0.111214D+01  0.737969D+00  0.136790D+01  0.562185D+00
      3  -0.111214D+01  0.110254D+01  0.115002D+01  0.562185D+00  0.153716D+01
               166           167           168           169           170 
      1   0.133180D+01  0.114666D+01  0.445581D+00  0.118184D+01  0.466996D+00
      2   0.114666D+01  0.270601D+01  0.187254D+01  0.466996D+00  0.163669D+01
      3   0.445581D+00  0.187254D+01  0.322152D+01  0.684749D+00  0.153731D+01
               171 
      1   0.684749D+00
      2   0.153731D+01
      3   0.317341D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.537616D+00 -0.735776D+01 -0.100049D+01 -0.653516D+01  0.199863D+01
      2  -0.249786D+01 -0.272245D+01  0.108399D+02 -0.204594D+01  0.106467D+02
      3  -0.191102D+01 -0.845749D+01  0.232523D+01 -0.444695D+01  0.488203D+01
                 6             7             8             9            10 
      1  -0.103283D+02 -0.111582D+01 -0.434594D+01 -0.203938D+00  0.171112D+01
      2   0.372469D+01  0.439671D+01  0.441391D+01 -0.468324D+01 -0.836124D+01
      3  -0.376398D+01  0.148182D+01 -0.239136D+01 -0.339646D+01  0.201395D+01
                11            12            13            14            15 
      1  -0.120209D-01  0.253245D-01  0.119548D-01  0.609376D+00 -0.327904D+01
      2  -0.222750D+01  0.388849D+01  0.155183D+01 -0.244117D+01 -0.321381D+01
      3   0.356755D+01  0.176081D+01  0.932831D+01 -0.171541D+01  0.361518D+01
                16            17            18            19            20 
      1  -0.134077D+01  0.225979D+01 -0.211076D+01 -0.199947D+01  0.187928D+01
      2  -0.132242D+01 -0.247523D+01  0.559000D+01  0.149352D+01  0.471762D+00
      3  -0.150059D+01  0.267968D+01  0.415107D+01 -0.723957D+00 -0.352659D+01
                21            22            23            24            25 
      1  -0.105812D+01  0.457318D+01 -0.552570D+00  0.907464D+00  0.264899D+01
      2  -0.137942D+01 -0.671665D+00 -0.230753D+01  0.235458D+01 -0.741588D+01
      3   0.130627D+00  0.337233D+01 -0.525983D+00 -0.285780D+01  0.132506D+01
                26            27            28            29            30 
      1   0.389530D+01  0.291642D+01 -0.111219D+01 -0.463912D+01  0.423053D+00
      2  -0.161618D+01  0.317024D+01  0.120169D+02  0.439342D+01  0.263334D+01
      3  -0.814510D+00  0.196836D+00 -0.355023D+01 -0.773572D+01 -0.263099D+01
                31            32            33            34            35 
      1  -0.380399D+01  0.351976D+00  0.642341D+01  0.274134D+01  0.699783D+01
      2  -0.364821D+00  0.140809D+01 -0.560878D+00 -0.929896D+01 -0.260477D+01
      3  -0.594342D+01  0.865604D+01  0.226100D+01 -0.375808D+00  0.371332D+01
                36            37            38            39            40 
      1  -0.125081D+01 -0.924362D+00  0.378840D+01  0.646582D+00  0.282561D+01
      2  -0.919173D+01 -0.171172D+01 -0.134582D+01  0.515015D+01  0.244401D+00
      3  -0.234942D+00  0.219986D+01 -0.670189D+01  0.869764D+00 -0.161788D+01
                41            42            43            44            45 
      1   0.848904D+01  0.247396D+00 -0.114253D+01  0.489900D+01 -0.530447D+00
      2   0.332519D+01  0.298280D+01  0.229489D+01  0.107464D+01  0.892980D+01
      3  -0.132540D+02 -0.602404D+01 -0.167862D+01 -0.536650D+01  0.837368D+00
                46            47            48            49            50 
      1   0.321733D+01  0.271094D+01 -0.392710D+00  0.254935D+01  0.218078D+01
      2   0.102189D+02  0.115791D+01 -0.720502D+00  0.163110D+01  0.268960D+01
      3   0.688347D+01 -0.117816D+02 -0.455777D+01 -0.523982D+01 -0.588727D+01
                51            52            53            54            55 
      1   0.197418D+01 -0.250586D+01  0.714302D+01 -0.742654D+01  0.406339D+01
      2   0.461176D+01 -0.683199D+01  0.672782D+01 -0.136431D+02  0.308510D+01
      3  -0.556013D+01 -0.474593D+01 -0.502180D+01 -0.532204D+01 -0.368311D+01
                56            57            58            59            60 
      1  -0.375143D+01 -0.357145D+01 -0.380050D+01  0.403276D+01 -0.380571D+01
      2  -0.841706D+00  0.209696D+01 -0.107063D+01  0.448600D+01 -0.126551D+01
      3  -0.120209D+02 -0.447215D+01 -0.160311D+01 -0.705707D+01 -0.123907D+01
                61            62            63            64            65 
      1  -0.600179D+01  0.586713D+01  0.333773D+01  0.146507D+01  0.664758D+00
      2  -0.516278D+01  0.134822D+01  0.141453D+01 -0.367120D+01 -0.160456D+01
      3  -0.307386D+01 -0.461131D+00  0.451771D+01 -0.744946D+01  0.804611D+00
                66            67            68            69            70 
      1  -0.623022D+00 -0.964955D+00 -0.115400D+01 -0.123689D+02 -0.803575D+00
      2   0.126301D+01  0.308271D+01 -0.287860D+00  0.235399D+01 -0.120157D+01
      3   0.709436D+00  0.134846D+02 -0.157197D+02  0.148846D+01  0.101776D+01
                71            72            73            74            75 
      1  -0.214386D+00  0.457145D+00 -0.643834D+00  0.462435D+00 -0.156482D+00
      2   0.483912D+01  0.127332D+01 -0.138291D+01  0.638119D+00  0.202579D+00
      3  -0.356037D+00 -0.439827D+01  0.281196D+00 -0.539924D+00  0.475412D+00
                76            77            78            79            80 
      1  -0.213214D+00 -0.207350D+01  0.279748D+00 -0.990863D+00  0.486062D+01
      2   0.156347D+01 -0.600826D+00 -0.176271D+00 -0.381534D+01  0.915781D+00
      3   0.175015D+01 -0.115185D-01  0.875800D+00 -0.406165D+00  0.113029D+00
                81            82            83            84            85 
      1  -0.147528D+01 -0.461771D+00  0.667033D+00 -0.130716D+01  0.477708D+00
      2  -0.545136D-01  0.901959D+00  0.539994D+00  0.252533D+01 -0.166153D+01
      3  -0.473375D+00 -0.374376D+00 -0.433288D+01 -0.271307D+00  0.128703D+01
                86            87            88            89            90 
      1   0.113367D+01 -0.258496D+01 -0.259354D+00  0.156347D+01 -0.756596D+00
      2   0.126689D+01  0.350981D+01 -0.165536D+01  0.218971D+01  0.212875D+01
      3  -0.632070D+01 -0.281503D+01  0.171676D+01 -0.319757D+01 -0.234463D+01
                91            92            93            94            95 
      1  -0.633771D-01 -0.237098D+01  0.341737D+00 -0.221857D+01 -0.105855D+02
      2   0.202502D+01  0.485317D-01  0.136003D+00 -0.845112D+00 -0.175876D+01
      3   0.693268D-01  0.689907D+00  0.831791D+00  0.244950D+01  0.167479D+02
                96            97            98            99           100 
      1  -0.341185D+01 -0.456720D+00 -0.105212D+01  0.107792D+01  0.107749D+01
      2  -0.491205D+01 -0.774574D+00 -0.260325D+01 -0.648610D-02 -0.182039D+01
      3   0.402720D+01  0.302841D+00  0.298750D+01  0.236024D+01  0.897302D+01
               101           102           103           104           105 
      1   0.203733D+01 -0.214893D+01  0.335042D+00  0.249753D+01 -0.313207D+01
      2  -0.868100D+00  0.732746D+00 -0.165252D+01 -0.180082D+01 -0.186434D+00
      3   0.640048D+01  0.396482D+00  0.809892D+01  0.988556D+01  0.232636D+01
               106           107           108           109           110 
      1   0.377374D+00  0.163088D+00  0.643693D+00 -0.352365D+01  0.126695D+01
      2   0.174773D+00 -0.436738D-01  0.525584D+00  0.521836D+00  0.597912D+00
      3  -0.887893D+00  0.168477D+00  0.945105D-03 -0.531951D+01  0.588838D+00
               111           112           113           114           115 
      1   0.671525D+01  0.531324D+00 -0.945316D+00 -0.199699D+01  0.480563D+01
      2   0.332864D+01 -0.767225D-01 -0.257602D+00 -0.929982D+00 -0.565496D+00
      3   0.322000D+01  0.148929D+01  0.224022D+00 -0.195915D+00  0.498576D+01
               116           117           118           119           120 
      1  -0.126643D+01 -0.599509D+01 -0.260139D+01  0.125013D-01  0.209703D+01
      2  -0.124437D+01 -0.291162D+01 -0.818588D+01  0.470623D+00  0.752041D+01
      3  -0.248045D+00 -0.403714D+01 -0.833640D+01 -0.449421D+01  0.211235D+01
               121           122           123           124           125 
      1   0.377456D+00 -0.569287D+00 -0.930029D+00  0.150739D+01  0.291583D+00
      2  -0.164186D+00 -0.161089D+01  0.326745D+00  0.389468D+01 -0.803356D+00
      3  -0.101512D+01 -0.565636D+00  0.131509D+01  0.211795D+01  0.248810D+01
               126           127           128           129           130 
      1  -0.788245D+00 -0.184370D+01 -0.109537D+01 -0.184494D+01 -0.116940D+01
      2  -0.248891D+01 -0.137694D+01 -0.762664D+00 -0.661273D+00 -0.775273D+00
      3  -0.541336D+00  0.111156D+02  0.485917D+01  0.270582D+01  0.735901D+01
               131           132           133           134           135 
      1  -0.373695D+01 -0.474809D+01 -0.503510D+00 -0.150603D+01 -0.209963D+01
      2  -0.261912D+01 -0.300865D+01 -0.145192D+01 -0.283003D+01 -0.132659D+01
      3   0.131419D+02  0.416975D+01  0.279580D+01  0.543201D+01  0.372216D+01
               136           137           138           139           140 
      1   0.585120D+00 -0.418776D+00  0.608428D+00 -0.509016D+00  0.112151D+00
      2   0.109782D+01 -0.523680D+00  0.179186D+01 -0.356777D+00  0.243740D+01
      3  -0.132289D+00  0.110731D+00 -0.799413D-01  0.138595D+01  0.270122D+01
               141           142           143           144           145 
      1  -0.214921D+01  0.732296D+00  0.154710D+01  0.851707D+01  0.106342D+01
      2  -0.320078D+01 -0.944892D+00 -0.430456D+01  0.173526D+02  0.807514D+01
      3  -0.217172D+01 -0.655010D+00 -0.412900D+01  0.432294D+01  0.480886D+01
               146           147           148           149           150 
      1  -0.220966D+01 -0.166740D+01 -0.346764D+00 -0.289232D+00  0.155065D+00
      2   0.448475D+00  0.205253D+01  0.101316D+01 -0.623096D+00 -0.282929D+00
      3  -0.319352D+01 -0.138327D+01  0.701312D+00 -0.751215D+00  0.863334D+00
               151           152           153           154           155 
      1  -0.952211D+00  0.207077D+01  0.113674D+01 -0.204410D+01  0.439426D+01
      2  -0.273450D+01 -0.616154D+00 -0.171193D+00 -0.485926D+01  0.392073D+01
      3  -0.136412D+01  0.131124D+01  0.142110D+01 -0.447334D+01  0.355907D+01
               156           157           158           159           160 
      1   0.121027D+01  0.389723D+01 -0.810448D+01 -0.114197D+01  0.918404D-01
      2  -0.173405D+01  0.492231D+01 -0.689123D+01  0.259351D+01 -0.313132D+01
      3  -0.144698D+01  0.677708D+01 -0.838695D+01  0.269245D+01 -0.141005D+01
               161           162           163           164           165 
      1   0.246801D+01 -0.523353D+00  0.257252D+01  0.397123D+01  0.170306D+01
      2   0.226493D+01 -0.194129D+01 -0.459730D+01 -0.244448D+01 -0.307925D+01
      3   0.185506D+01 -0.223966D+01  0.971614D+00  0.706207D+00 -0.425753D-01
               166           167           168           169           170 
      1   0.301130D+01  0.725835D+01  0.330239D+01  0.180490D+01  0.585638D+01
      2  -0.432382D+01 -0.506095D+01 -0.472060D+01 -0.479264D+01 -0.326758D+01
      3   0.272138D+01  0.259181D+01  0.196589D+01  0.354302D+00  0.123752D+01
               171 
      1   0.442124D+01
      2  -0.493902D+01
      3   0.145748D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.135382D+02 -0.827275D+01  0.176598D+02 -0.749549D+01  0.188536D+02
      2   0.132637D+02  0.124983D+02 -0.897289D+01  0.112380D+02 -0.890875D+01
      3   0.274513D+00 -0.422551D+01 -0.868686D+01 -0.374247D+01 -0.994486D+01
      4  -0.111768D+02  0.553942D+01  0.736430D+01  0.664293D+01  0.170000D+01
      5   0.251507D+02  0.539469D+01 -0.118856D+02  0.370423D+01 -0.181074D+01
      6   0.865624D+01 -0.959865D+01 -0.348649D+01 -0.882597D+01  0.591732D+01
                 6             7             8             9            10 
      1   0.455805D+01  0.127361D+02  0.429027D+01 -0.798401D+01  0.103828D+02
      2   0.848217D+01 -0.601708D+01  0.699027D+01 -0.202875D+01 -0.122638D+02
      3  -0.130402D+02 -0.671902D+01 -0.112805D+02  0.100128D+02  0.188104D+01
      4   0.530618D+01  0.607831D+01  0.400951D+01  0.583226D+01 -0.399442D+01
      5   0.159826D+01 -0.910469D+01  0.378369D+01 -0.655994D+01 -0.114048D+02
      6  -0.719174D+01 -0.207108D+01 -0.527272D+01 -0.878932D+01 -0.571908D+01
                11            12            13            14            15 
      1   0.388053D+00 -0.953281D+01  0.457743D+01 -0.110682D+02 -0.181237D+01
      2  -0.629459D+00  0.360344D+01 -0.324500D+01 -0.407208D+00 -0.391571D+01
      3   0.241406D+00  0.592938D+01 -0.133242D+01  0.114754D+02  0.572808D+01
      4  -0.156386D+02 -0.512431D+01 -0.158352D+02 -0.759202D+01 -0.116103D+02
      5  -0.295422D+01 -0.140903D+01 -0.713372D+00 -0.131449D+02 -0.719026D+01
      6  -0.529486D+01 -0.550409D+00 -0.556361D+01 -0.469019D+01 -0.326956D+01
                16            17            18            19            20 
      1  -0.106684D+02 -0.131711D+01  0.343697D+01 -0.766922D+01 -0.763349D+01
      2   0.378254D+01 -0.205048D+01 -0.174021D+01  0.738180D+01  0.931227D+01
      3   0.688585D+01  0.336759D+01 -0.169676D+01  0.287415D+00 -0.167878D+01
      4  -0.251770D+01 -0.930910D+01 -0.112305D+02  0.552890D+01 -0.263997D+00
      5  -0.293972D+01 -0.103899D+02  0.926353D+01  0.919427D+00 -0.150424D+01
      6  -0.225159D+01 -0.572518D+01  0.585723D+00  0.443344D+01  0.551768D+01
                21            22            23            24            25 
      1  -0.201842D+00 -0.381803D+01  0.373745D+01 -0.363777D+01  0.478619D+01
      2   0.250220D+00  0.460595D+01 -0.126684D+01 -0.469774D+01  0.651058D+00
      3  -0.483784D-01 -0.787922D+00 -0.247061D+01  0.833551D+01 -0.543725D+01
      4   0.576269D+00 -0.474713D+01  0.108127D+02  0.863314D+00 -0.115288D+01
      5  -0.143396D+01 -0.162120D+01  0.284215D+01  0.506405D+01  0.270297D+01
      6   0.406946D+01  0.118188D+01 -0.307946D+00 -0.784116D+01 -0.588239D+00
                26            27            28            29            30 
      1  -0.674791D+01  0.731009D+01 -0.465988D+01  0.226443D+01 -0.709794D+00
      2  -0.905988D+00  0.134850D+02  0.125520D+01 -0.258849D+01  0.747429D+01
      3   0.765390D+01 -0.207951D+02  0.340468D+01  0.324066D+00 -0.676450D+01
      4   0.477179D+01 -0.271612D+01  0.299367D+01  0.286478D+01  0.172366D+01
      5  -0.932882D+00 -0.131844D+01 -0.704150D+01  0.383417D+01 -0.182685D+01
      6   0.358359D+01  0.620926D+01 -0.158563D+01 -0.220581D+01  0.196774D+01
                31            32            33            34            35 
      1   0.734602D+01  0.190852D+02  0.194406D+01 -0.116282D+02  0.596392D+01
      2  -0.769627D+01 -0.352540D+02 -0.153609D+01  0.949773D+01 -0.187913D+01
      3   0.350249D+00  0.161688D+02 -0.407969D+00  0.213049D+01 -0.408479D+01
      4  -0.149646D+02 -0.182620D+02  0.342701D+01  0.387857D+01 -0.273403D+00
      5   0.651523D+01  0.581238D+01 -0.723750D+00  0.387137D+00  0.153179D+01
      6   0.499371D+00  0.200724D+01 -0.111608D+02 -0.942131D+00  0.105052D+01
                36            37            38            39            40 
      1  -0.985947D+00  0.353725D+02 -0.204410D+01  0.726852D+01  0.195974D+01
      2  -0.214767D+01 -0.233543D+02  0.191753D+01 -0.977108D+01 -0.116079D+01
      3   0.313362D+01 -0.120183D+02  0.126573D+00  0.250257D+01 -0.798945D+00
      4   0.111792D+01 -0.215346D+01  0.759860D+01  0.134884D+00  0.131454D+02
      5  -0.845422D+01  0.142308D+02 -0.135489D+01  0.141859D+02  0.231246D+01
      6  -0.116293D+01  0.612454D+00  0.947016D+00 -0.234685D+01  0.643205D+00
                41            42            43            44            45 
      1   0.592615D+01  0.393524D+01  0.111229D+02 -0.818871D+00  0.315233D+01
      2  -0.202312D+01 -0.320451D+01 -0.111602D+02  0.135865D+01 -0.152481D+02
      3  -0.390303D+01 -0.730723D+00  0.372889D-01 -0.539780D+00  0.120958D+02
      4   0.110914D+02  0.591765D+01 -0.255429D+01  0.355597D+01 -0.720092D+00
      5   0.608270D+01  0.283604D+01  0.156057D+02 -0.176587D+01  0.177705D+02
      6  -0.135354D+01  0.530512D+01  0.451574D+00  0.431025D+01  0.353191D-02
                46            47            48            49            50 
      1  -0.374503D+02  0.495632D+01  0.177800D+02 -0.293205D+01  0.168523D+02
      2   0.202104D+02 -0.101330D+02 -0.999783D+01 -0.532168D+01 -0.956642D+01
      3   0.172399D+02  0.517670D+01 -0.778215D+01  0.825374D+01 -0.728591D+01
      4   0.330763D+01  0.130538D+02 -0.231228D+01  0.141634D+02 -0.445165D+01
      5   0.135089D+02  0.299604D+00 -0.956336D-01  0.889870D+00  0.103150D+02
      6  -0.532340D+01  0.114523D+00  0.436789D+00  0.119994D+01 -0.507009D+01
                51            52            53            54            55 
      1   0.314485D+01  0.216492D+02  0.143832D+01  0.431504D+01  0.107350D+02
      2  -0.921421D+01 -0.992833D+01 -0.865488D+01  0.624432D+01 -0.501818D+01
      3   0.606937D+01 -0.117208D+02  0.721656D+01 -0.105594D+02 -0.571682D+01
      4   0.656718D+01 -0.211368D+01  0.506918D+01  0.942856D+01 -0.417600D+01
      5   0.908129D+01 -0.339297D+01  0.105609D+02 -0.263001D+02  0.521519D+01
      6  -0.371244D+01  0.186861D+01 -0.377639D+01  0.124803D+02 -0.791084D+01
                56            57            58            59            60 
      1   0.118232D+02  0.217954D+01  0.851059D+01  0.216008D+01  0.218572D+01
      2  -0.209099D+02 -0.608608D+01 -0.161892D+02  0.387798D+01 -0.365351D+01
      3   0.908665D+01  0.390654D+01  0.767865D+01 -0.603805D+01  0.146779D+01
      4   0.254092D+01 -0.475201D+01  0.650954D+01 -0.189861D+02  0.271455D+01
      5  -0.331400D+01 -0.113212D+01 -0.236402D+01 -0.218022D+01 -0.502098D+00
      6  -0.283582D+01  0.635406D+01 -0.831084D+00 -0.554936D+01  0.448506D+01
                61            62            63            64            65 
      1  -0.851777D+00  0.231152D+01 -0.464193D+01  0.338627D+01  0.638243D+01
      2  -0.361077D+01 -0.406028D+01 -0.698990D+00  0.486525D+01 -0.252701D+01
      3   0.446254D+01  0.174876D+01  0.534092D+01 -0.825152D+01 -0.385542D+01
      4  -0.608175D+01  0.449814D+01  0.101232D+02  0.392990D+01  0.155093D+02
      5  -0.646496D+01  0.517080D+01  0.948173D+01 -0.941602D+00 -0.226298D+01
      6   0.117233D+02 -0.279810D+01 -0.587720D+01 -0.100440D+01 -0.145107D+01
                66            67            68            69            70 
      1   0.574449D+00  0.273415D+01 -0.351835D+02  0.167841D+01  0.538264D+00
      2  -0.141782D+01  0.228387D+01  0.651359D+02 -0.177621D+01 -0.202987D+01
      3   0.843371D+00 -0.501802D+01 -0.299524D+02  0.977994D-01  0.149161D+01
      4  -0.204078D+01  0.214537D+02  0.327798D+02 -0.349212D+01 -0.182112D+01
      5   0.394977D+01 -0.185394D+01 -0.688506D+01  0.699543D+01  0.428635D+01
      6   0.675789D+00 -0.189252D+01 -0.352873D+01  0.181025D+02  0.175251D+01
                71            72            73            74            75 
      1  -0.208920D+00 -0.736042D+01  0.723187D+00  0.509171D+00 -0.737027D+00
      2  -0.123455D+01  0.634863D+01 -0.483678D+01 -0.315021D-01 -0.908022D+00
      3   0.144347D+01  0.101179D+01  0.411360D+01 -0.477669D+00  0.164505D+01
      4  -0.205567D+01  0.649375D+01 -0.998716D-01  0.158063D+01 -0.846480D+00
      5   0.726610D+01 -0.224695D+01  0.985705D+00 -0.164759D+01  0.636292D+01
      6   0.151678D+02 -0.214597D+01 -0.212189D+01 -0.171140D-02 -0.206059D+00
                76            77            78            79            80 
      1   0.353962D+00 -0.414743D+01  0.467522D+01 -0.451441D+00  0.338165D+01
      2   0.697684D+00 -0.107854D+01  0.406010D+01 -0.197637D+01  0.508156D+01
      3  -0.105165D+01  0.522597D+01 -0.873531D+01  0.242781D+01 -0.846321D+01
      4   0.225018D+01  0.357557D+00 -0.317272D-01 -0.109230D+00 -0.217718D+01
      5  -0.118469D+01  0.287500D+00 -0.376046D+00  0.508588D+01  0.119807D+00
      6   0.896433D+00 -0.433128D+01  0.829651D+01 -0.112026D+01  0.625573D+01
                81            82            83            84            85 
      1  -0.180124D+02  0.100499D+02  0.492329D+01  0.498940D+01  0.414784D+01
      2  -0.187504D+02 -0.252242D+01 -0.265470D+00 -0.191605D+01  0.157208D+01
      3   0.367628D+02 -0.752745D+01 -0.465782D+01 -0.307334D+01 -0.571992D+01
      4   0.875163D+00  0.121294D+02  0.141494D+02  0.591023D+01  0.146891D+02
      5  -0.137526D+00  0.830999D+01  0.514839D+01  0.783232D+01  0.526629D+01
      6  -0.611298D+01  0.440474D+01  0.400572D+01  0.367922D+01  0.447899D+01
                86            87            88            89            90 
      1  -0.756805D+00  0.446632D-01  0.424116D+01 -0.118971D+01 -0.772554D+00
      2   0.108472D+02  0.352657D+01 -0.225957D+01  0.212344D+01 -0.135214D+01
      3  -0.100904D+02 -0.357124D+01 -0.198159D+01 -0.933733D+00  0.212469D+01
      4   0.208460D+02  0.894573D+01  0.552302D+01  0.904738D+01  0.889037D+01
      5   0.839682D+01  0.773332D+01  0.839115D+01  0.812940D+01  0.828113D+01
      6   0.103825D+02  0.861720D+01  0.409771D+01  0.944651D+01  0.782557D+01
                91            92            93            94            95 
      1   0.315103D+01 -0.285102D+01  0.346416D+00 -0.101716D+02 -0.287373D+01
      2  -0.443433D+00  0.245935D+00  0.165337D+01  0.619178D+01  0.265572D+01
      3  -0.270759D+01  0.260509D+01 -0.199978D+01  0.397980D+01  0.218005D+00
      4  -0.534536D+01  0.175423D+01 -0.212610D+01  0.101992D+01 -0.163101D+02
      5  -0.421993D+00 -0.210584D+01 -0.811057D-01 -0.704279D+01 -0.102954D+01
      6  -0.100726D+01  0.176187D+01 -0.142427D+01  0.295306D+01 -0.207276D+01
                96            97            98            99           100 
      1  -0.463087D+01 -0.212198D+01 -0.388686D+00 -0.147931D+01 -0.512331D+01
      2   0.556559D+01  0.178174D+01 -0.314235D+00  0.160208D+01  0.891216D+01
      3  -0.934724D+00  0.340244D+00  0.702920D+00 -0.122761D+00 -0.378885D+01
      4  -0.662307D-01 -0.336462D+01  0.352871D+00 -0.339487D+01  0.796558D+01
      5  -0.785413D+01  0.748421D+00 -0.310482D+01  0.989203D+00  0.336888D+01
      6   0.252516D+01 -0.316702D+00  0.296659D+01 -0.327308D+01  0.235580D+01
               101           102           103           104           105 
      1  -0.124325D+02 -0.244698D+01 -0.820698D+01 -0.211048D+02 -0.477833D+01
      2   0.189780D+02  0.172677D+01  0.113924D+02  0.319587D+02  0.419814D+01
      3  -0.654556D+01  0.720212D+00 -0.318539D+01 -0.108538D+02  0.580194D+00
      4   0.781492D+01  0.254725D+00  0.764130D+01  0.590735D+01  0.193797D+00
      5   0.249964D+01  0.776924D+00  0.279939D+01  0.208893D+01 -0.610893D+00
      6   0.768071D+01  0.375944D+01  0.393945D+01  0.126949D+02  0.763452D+01
               106           107           108           109           110 
      1   0.123873D+01 -0.134999D+01 -0.128966D+01  0.414397D+01  0.162247D+01
      2  -0.603494D+00  0.110877D+01  0.102894D+01 -0.467785D+01 -0.191067D+01
      3  -0.635232D+00  0.241221D+00  0.260727D+00  0.533887D+00  0.288200D+00
      4  -0.208586D+00 -0.255510D+00  0.276948D+00 -0.123828D+02  0.837165D+01
      5   0.231497D+01  0.170739D+00  0.566245D+00 -0.136100D+02  0.691003D+01
      6  -0.170231D+00  0.453917D+01  0.139040D+01  0.108606D+02 -0.870696D+01
               111           112           113           114           115 
      1   0.228084D+00  0.116857D+01 -0.394581D+01 -0.289571D+01  0.355298D+00
      2   0.413273D+01 -0.202042D+01  0.453074D+01  0.285643D+01  0.448262D+01
      3  -0.436081D+01  0.851843D+00 -0.584926D+00  0.392775D-01 -0.483792D+01
      4   0.922435D+01  0.593847D+01 -0.519814D+01 -0.441796D+01  0.108249D+02
      5   0.134673D+02  0.277324D+01 -0.446991D+01 -0.326812D+01  0.144317D+02
      6  -0.137355D+02 -0.503332D+01  0.715521D+01  0.828929D+01 -0.128141D+02
               116           117           118           119           120 
      1  -0.474940D+01 -0.426863D+01  0.674714D+02 -0.620107D+01 -0.105562D+02
      2   0.247489D+01 -0.444194D+01 -0.333877D+02  0.114870D+01  0.534335D+01
      3   0.227450D+01  0.871057D+01 -0.340837D+02  0.505237D+01  0.521286D+01
      4  -0.699115D+01 -0.110828D+02 -0.174162D+02  0.108883D+02  0.220662D+01
      5  -0.742073D+01 -0.148033D+02 -0.592384D+01  0.599446D-01  0.108106D+02
      6   0.124172D+02  0.166905D+02  0.317630D+01  0.578870D-01 -0.341664D+01
               121           122           123           124           125 
      1   0.412369D+01  0.403889D+01 -0.900320D+00 -0.177163D+02  0.185515D+01
      2  -0.353857D+01 -0.361179D+00  0.153620D+01  0.927224D+01  0.617743D+00
      3  -0.585125D+00 -0.367771D+01 -0.635877D+00  0.844405D+01 -0.247289D+01
      4   0.726589D+01 -0.857005D+00 -0.267868D+01  0.520129D+01 -0.442585D+01
      5  -0.196165D+00 -0.232646D+01  0.497265D+00  0.102214D+02 -0.177850D+01
      6  -0.325254D+00  0.766835D+00  0.129928D+01 -0.258415D+01  0.166572D+01
               126           127           128           129           130 
      1   0.732648D+01 -0.274600D+01 -0.540785D+01 -0.406007D+01 -0.770713D+01
      2  -0.569555D+01  0.343475D+01  0.721652D+01  0.289206D+01  0.656328D+01
      3  -0.163093D+01 -0.688750D+00 -0.180866D+01  0.116802D+01  0.114385D+01
      4  -0.260664D+01  0.638245D+01 -0.348514D+01  0.856747D+00  0.336887D+01
      5  -0.397300D+01 -0.314734D+01 -0.107399D+01 -0.196067D+01 -0.203757D+01
      6   0.536989D+00  0.188628D+01  0.913361D+00  0.248786D+01  0.750831D+00
               131           132           133           134           135 
      1  -0.151188D+02 -0.466298D+01 -0.611606D+01 -0.450454D+01 -0.529975D+01
      2   0.247487D+02  0.733932D+01  0.325341D+01  0.785146D+01  0.332009D+01
      3  -0.962997D+01 -0.267635D+01  0.286265D+01 -0.334692D+01  0.197966D+01
      4  -0.145395D+02 -0.336236D+01  0.251839D+01 -0.657839D+01 -0.361475D+01
      5  -0.531357D+01 -0.659189D+01  0.328707D+00 -0.523918D+01 -0.161399D+01
      6   0.429600D+01  0.635052D+01  0.718203D+00  0.606814D+01  0.324935D+01
               136           137           138           139           140 
      1   0.564777D+01 -0.189599D+01  0.298417D+01 -0.301207D+00 -0.462195D+01
      2  -0.479658D+01  0.141546D+01 -0.216892D+01  0.499019D+00  0.310593D+01
      3  -0.851186D+00  0.480531D+00 -0.815242D+00 -0.197812D+00  0.151602D+01
      4  -0.292150D+01  0.151880D+01 -0.266761D+01  0.254138D+01 -0.476198D+01
      5   0.443804D+01 -0.214347D+01  0.786013D+01 -0.228581D+01  0.507734D+01
      6  -0.166914D+01  0.841509D+00 -0.165392D+01  0.164321D+01 -0.490066D+01
               141           142           143           144           145 
      1   0.226185D+01  0.586653D+01  0.236101D+01 -0.932420D+01  0.333061D+02
      2  -0.961186D+00 -0.548731D+01 -0.302349D+00 -0.134360D+02 -0.229316D+02
      3  -0.130066D+01 -0.379214D+00 -0.205866D+01  0.227602D+02 -0.103745D+02
      4   0.545920D+01 -0.657173D+01  0.888325D+01 -0.922748D+01  0.154542D+02
      5  -0.682089D+01  0.133097D+02 -0.109679D+02  0.365634D+02 -0.338105D+02
      6   0.960631D+01 -0.370964D+01  0.106812D+02 -0.191326D+02 -0.707018D+01
               146           147           148           149           150 
      1   0.311049D+01 -0.951774D+01  0.260579D+01  0.932459D+00 -0.495486D+00
      2  -0.141195D+01  0.131419D+02 -0.112549D+01  0.364973D-01 -0.430652D+00
      3  -0.169854D+01 -0.362420D+01 -0.148030D+01 -0.968957D+00  0.926138D+00
      4   0.936753D+01 -0.784083D+01  0.778753D+01  0.393458D+01 -0.425966D+01
      5  -0.593989D+01  0.232535D+02 -0.377829D+01 -0.423915D+01  0.220968D+01
      6  -0.536343D+01  0.628379D+01 -0.338863D+01 -0.306411D+01  0.474812D+01
               151           152           153           154           155 
      1  -0.576929D+01 -0.625182D+00  0.387994D+01 -0.371701D+01  0.833442D+01
      2   0.869710D+01  0.301536D+00 -0.939334D+01  0.320614D+01 -0.820621D+01
      3  -0.292780D+01  0.323646D+00  0.551340D+01  0.510865D+00 -0.128208D+00
      4  -0.492680D+01 -0.320063D+01  0.398952D+01 -0.988193D+00  0.744815D+00
      5   0.169855D+02  0.270542D+01 -0.138262D+02  0.131643D+01 -0.272562D+01
      6   0.431758D+01  0.407174D+01 -0.366658D+01 -0.485396D+01  0.867746D+01
               156           157           158           159           160 
      1  -0.676690D+01  0.773689D+01 -0.202928D+02  0.859353D+01 -0.377755D+01
      2   0.169543D+01 -0.767287D+01  0.224405D+02 -0.379764D+01  0.117344D+01
      3   0.507148D+01 -0.640158D-01 -0.214771D+01 -0.479588D+01  0.260411D+01
      4  -0.364518D+00  0.255119D+01  0.643003D+01 -0.377543D+01 -0.954501D+00
      5   0.177808D+01 -0.468344D+01  0.552294D+00  0.213300D+01  0.316779D+01
      6  -0.504993D+01  0.585248D+01 -0.197622D+02  0.129929D+02 -0.342636D+01
               161           162           163           164           165 
      1   0.603962D+01 -0.683091D+01 -0.190883D+01 -0.120849D+01 -0.688435D+01
      2  -0.304285D+01  0.177226D+01 -0.207537D+01 -0.230257D+01 -0.197316D+01
      3  -0.299678D+01  0.505865D+01  0.398419D+01  0.351106D+01  0.885752D+01
      4  -0.141894D+01  0.256254D+00  0.238192D+00 -0.918601D+00 -0.148271D+01
      5  -0.366407D+00  0.445715D+00  0.805027D+00  0.157440D+01  0.271638D+01
      6   0.102036D+02 -0.648994D+01  0.187993D+01  0.494058D+01  0.215597D+01
               166           167           168           169           170 
      1  -0.281575D+01 -0.779961D+01 -0.833718D+01 -0.473166D+01 -0.487056D+01
      2  -0.706567D+00  0.182616D+00 -0.611818D+01 -0.817120D+00 -0.459304D+01
      3   0.352232D+01  0.761699D+01  0.144554D+02  0.554878D+01  0.946360D+01
      4  -0.754077D+00 -0.562573D+01 -0.375270D+01 -0.164764D+01 -0.350225D+01
      5   0.350056D+01 -0.556183D-01 -0.421025D+01  0.460292D+01 -0.197269D+00
      6   0.376896D+01  0.101050D+02  0.809204D+01  0.234036D+01  0.813553D+01
               171 
      1  -0.995035D+01
      2  -0.764750D+01
      3   0.175978D+02
      4  -0.269060D+01
      5  -0.218035D+01
      6   0.637311D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.204740D+01      0.520398D+01      0.173586D+02
   x         -0.742876D+00     -0.188820D+01     -0.629836D+01
   y         -0.176742D+01     -0.449234D+01     -0.149848D+02
   z         -0.718479D+00     -0.182619D+01     -0.609152D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.739690D+02      0.109611D+02      0.121958D+02
   aniso      0.105659D+02      0.156571D+01      0.174208D+01
   xx         0.760945D+02      0.112760D+02      0.125463D+02
   yx        -0.269603D+01     -0.399510D+00     -0.444515D+00
   yy         0.776510D+02      0.115067D+02      0.128029D+02
   zx         0.143289D+01      0.212332D+00      0.236252D+00
   zy        -0.141107D+01     -0.209099D+00     -0.232654D+00
   zz         0.681616D+02      0.101005D+02      0.112383D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.789425D+02      0.116981D+02      0.130159D+02
   aniso      0.108544D+02      0.160846D+01      0.178965D+01
   xx         0.806679D+02      0.119537D+02      0.133003D+02
   yx        -0.272469D+01     -0.403757D+00     -0.449240D+00
   yy         0.829909D+02      0.122980D+02      0.136833D+02
   zx         0.194742D+01      0.288577D+00      0.321086D+00
   zy        -0.130585D+01     -0.193507D+00     -0.215305D+00
   zz         0.731688D+02      0.108425D+02      0.120639D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -2.73937377          2.23904352          1.08554495
     6         -1.88117418         -0.48059512          1.56439485
     6          0.94787025         -0.89168078          0.95010925
     6          1.52651926         -0.12322908         -1.78993980
     8          2.72797093          2.09429922         -2.00600709
     6         -3.56855114         -2.36908427          0.18026249
     7          2.54514824          0.60022698          2.66665461
     8          0.91617865         -1.36785827         -3.58759808
     1          1.33338913         -2.91683820          1.07931053
     1         -2.04641477         -0.86202224          3.59590872
     1          3.05019176          2.64619004         -0.25996411
     1          1.69156950          0.88348038          4.35454103
     1          4.22221412         -0.26015093          2.99461459
     1         -5.53150114         -2.11445910          0.75958720
     1         -3.45026046         -2.11393361         -1.85900059
     1         -3.02295168         -4.31304637          0.60144336
     1         -4.67885243          2.49392422          1.73581253
     1         -1.55771060          3.61399592          2.06654837
     1         -2.69062861          2.68301590         -0.92875161

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.204740D+01      0.520398D+01      0.173586D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.204740D+01      0.520398D+01      0.173586D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.739690D+02      0.109611D+02      0.121958D+02
   aniso      0.105659D+02      0.156571D+01      0.174208D+01
   xx         0.750862D+02      0.111266D+02      0.123800D+02
   yx         0.493121D+01      0.730731D+00      0.813047D+00
   yy         0.727223D+02      0.107763D+02      0.119903D+02
   zx         0.353219D+00      0.523417D-01      0.582379D-01
   zy         0.337069D+01      0.499485D+00      0.555752D+00
   zz         0.740985D+02      0.109803D+02      0.122172D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.789425D+02      0.116981D+02      0.130159D+02
   aniso      0.108544D+02      0.160846D+01      0.178965D+01
   xx         0.794507D+02      0.117734D+02      0.130996D+02
   yx         0.524184D+01      0.776760D+00      0.864262D+00
   yy         0.779035D+02      0.115441D+02      0.128446D+02
   zx         0.528074D+00      0.782525D-01      0.870677D-01
   zy         0.327218D+01      0.484887D+00      0.539510D+00
   zz         0.794734D+02      0.117767D+02      0.131034D+02

 ----------------------------------------------------------------------
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 ONE OF THE BENEFITS OF A COLLEGE EDUCATION
 IS TO SHOW THE BOY ITS LITTLE AVAIL 
                                    EMERSON IN 'CULTURE'
 Job cpu time:       0 days  5 hours  0 minutes 54.3 seconds.
 Elapsed time:       0 days  0 hours 37 minutes 39.5 seconds.
 File lengths (MBytes):  RWF=    240 Int=      0 D2E=      0 Chk=      8 Scr=      2
 Normal termination of Gaussian 16 at Fri Aug 13 11:24:48 2021.
